| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.8 | Very low | 39.6 | Very low | 240 Ų | 240 | 139.5 Ų | 139.5 | 100% | 1.182 | 80% | 0.798 | S | S | * | * | 0 | 85 | 0 | -65.5 | -175.1 | -174 | 0 | 0 | 106 | |||||
| 2 | A | 40 | Very low | 39.2 | Very low | 91 Ų | 91 | 137.4 Ų | 137.4 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | 78.4 | 121.2 | 95.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 3 | L | 38.2 | Very low | 39.1 | Very low | 151 Ų | 151 | 139.7 Ų | 139.7 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | cis | -165.2 | 119.3 | 14.8 | -94.2 | 156.8 | 0 | 0 | 0 | 104.5 | ||||
| 4 | T | 40.7 | Very low | 38.9 | Very low | 101 Ų | 101 | 141.2 Ų | 141.2 | 62% | 0.62 | 80% | 0.798 | S | S | * | * | 66.9 | 121.8 | 100 | 58.6 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 5 | L | 41.3 | Very low | 38.7 | Very low | 155 Ų | 155 | 137.5 Ų | 137.5 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | 74.5 | 135.6 | 132.5 | -64.2 | 169.3 | 0 | 0 | 0 | 116.7 | ||||
| 6 | T | 41.4 | Very low | 38.8 | Very low | 111 Ų | 111 | 137.5 Ų | 137.5 | 68% | 0.681 | 78% | 0.78 | S | S | * | * | cis | -162.3 | 145.2 | 26.9 | 41.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 7 | N | 39.7 | Very low | 38.6 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | 28.2 | 124.7 | 137.1 | -62.4 | -24.6 | 0 | 0 | 0 | 120.6 | ||||
| 8 | S | 40 | Very low | 38.2 | Very low | 106 Ų | 106 | 141.4 Ų | 141.4 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | 160.3 | 135.5 | 86.3 | -110.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 9 | V | 41 | Very low | 38.6 | Very low | 135 Ų | 135 | 139.3 Ų | 139.3 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | 77.1 | 123.7 | 151.7 | -173.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 10 | E | 34 | Very low | 39 | Very low | 184 Ų | 184 | 143.3 Ų | 143.3 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -60.2 | 153.4 | -178.9 | -54.9 | -168.1 | 153.2 | 0 | 0 | 114.7 | ||||
| 11 | P | 39.4 | Very low | 39.4 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -130.9 | 139.6 | 135.9 | 34.1 | -21.2 | 0 | 0 | 0 | 113 | ||||
| 12 | S | 35.4 | Very low | 40.4 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | -30.8 | 128.4 | 158.7 | 49.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 13 | F | 38 | Very low | 42 | Very low | 167 Ų | 167 | 131.6 Ų | 131.6 | 73% | 0.732 | 74% | 0.735 | S | S | * | * | trans | -105.8 | 74.2 | 175.7 | -145.7 | -88.7 | 0 | 0 | 0 | 110.7 | S15 I16 | F13-S15 WeakPolarHBondContact CE1-O 3.11Å; F13-I16 HydrophobicContact CE1-CD1 3.69Å; F13-I16 HydrophobicContact CE1-CG1 4.37Å; F13-I16 HydrophobicContact CZ-CD1 4Å | ||
| 14 | D | 36.1 | Very low | 43.7 | Very low | 161 Ų | 161 | 135.2 Ų | 135.2 | 86% | 0.861 | 74% | 0.738 | S | S | * | * | trans | -92 | 99 | 152.8 | -102.1 | -24.3 | 0 | 0 | 0 | 107.5 | ||||
| 15 | S | 35.7 | Very low | 45.5 | Very low | 85 Ų | 85 | 136.9 Ų | 136.9 | 59% | 0.594 | 74% | 0.739 | S | S | * | * | trans | 168.6 | 119.2 | 152.6 | 32.1 | 0 | 0 | 0 | 0 | 108.1 | F13 | F13-S15 WeakPolarHBondContact CE1-O 3.11Š| ||
| 16 | I | 39.6 | Very low | 47.4 | Very low | 138 Ų | 138 | 134.3 Ų | 134.3 | 71% | 0.708 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -176.3 | 107.6 | 137.6 | -88.4 | 157.9 | 0 | 0 | 0 | 107.3 | F13 | F13-I16 HydrophobicContact CE1-CD1 3.69Å; F13-I16 HydrophobicContact CE1-CG1 4.37Å; F13-I16 HydrophobicContact CZ-CD1 4Å |
| 17 | N | 35.6 | Very low | 49.4 | Very low | 144 Ų | 144 | 133.5 Ų | 133.5 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | trans | 66.8 | 81.1 | 154.4 | -62.2 | -23.4 | 0 | 0 | 0 | 119.5 | S19 | N17-S19 PolarHBondContact O-N 3Š| ||
| 18 | F | 32.5 | Very low | 51.6 | Low | 201 Ų | 201 | 135 Ų | 135 | 88% | 0.882 | 71% | 0.705 | S | S | * | * | trans | -72.9 | 75.3 | 152.5 | -141.1 | -93.2 | 0 | 0 | 0 | 109.7 | Y20 | F18-Y20 PolarHBondContact O-N 3.41Š| ||
| 19 | S | 44.7 | Very low | 53.9 | Low | 101 Ų | 101 | 134 Ų | 134 | 71% | 0.706 | 69% | 0.692 | S | S | * | * | trans | -76.3 | 118.1 | 169 | 76.5 | 0 | 0 | 0 | 0 | 108.4 | N17 G21 | N17-S19 PolarHBondContact O-N 3Å; S19-G21 PolarHBondContact O-N 3.39Å | ||
| 20 | Y | 46 | Very low | 56.1 | Low | 219 Ų | 219 | 134.4 Ų | 134.4 | 86% | 0.859 | 68% | 0.679 | S | S | * | * | trans | -43.8 | 97.2 | 174.7 | -76.1 | -94.1 | 0 | 0 | 0 | 111.9 | F18 L22 | F18-Y20 PolarHBondContact O-N 3.41Å; Y20-L22 PolarHBondContact O-N 2.81Å | ||
| 21 | G | 48.9 | Very low | 58.7 | Low | 71 Ų | 71 | 132.6 Ų | 132.6 | 73% | 0.732 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -73 | 118.9 | 175 | 0 | 0 | 0 | 0 | 0 | 109.4 | S19 S23 | S19-G21 PolarHBondContact O-N 3.39Å; G21-S23 PolarHBondContact O-N 3.32Å |
| 22 | L | 60.9 | Low | 61.1 | Low | 95 Ų | 95 | 134 Ų | 134 | 50% | 0.497 | 66% | 0.663 | S | S | . | * | P | Polyproline II helix | trans | -52.7 | 132.1 | 168.7 | -78.1 | 116.5 | 0 | 0 | 0 | 109.2 | Y20 Q26 | Y20-L22 PolarHBondContact O-N 2.81Å; L22-Q26 VanDerWaalsContact CA-OE1 3.3Å; L22-Q26 HydrophobicContact CB-CB 3.98Å; L22-Q26 HydrophobicContact CD2-CB 3.68Å; L22-Q26 HydrophobicContact CD2-CG 4.35Å; L22-Q26 HydrophobicContact CG-CB 4.43Å |
| 23 | S | 71.9 | Confident | 63.8 | Low | 64 Ų | 64 | 136.4 Ų | 136.4 | 45% | 0.448 | 66% | 0.659 | S | S | . | * | P | Polyproline II helix | trans | -49.6 | 144.3 | 175.4 | 161.9 | 0 | 0 | 0 | 0 | 110.1 | G21 Q25 Q26 E27 | G21-S23 PolarHBondContact O-N 3.32Å; S23-Q25 CarbonylContact O-C 3.58Å; S23-Q25 PolarHBondContact O-N 3.42Å; S23-Q25 PolarHBondContact OG-N 3.01Å; S23-Q26 VanDerWaalsContact N-OE1 3.1Å; S23-Q26 WeakPolarHBondContact O-CA 3.45Å; S23-Q26 WeakPolarHBondContact O-CB 3.12Å; S23-Q26 PolarHBondContact O-N 3.42Å; S23-E27 PolarHBondContact O-N 3.23Å; S23-E27 VanDerWaalsContact O-N 3.08Å |
| 24 | R | 75.6 | Confident | 66.4 | Low | 226 Ų | 226 | 133.6 Ų | 133.6 | 85% | 0.853 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -49.6 | -26.4 | 177.9 | -148 | 175.8 | -174.8 | -166.2 | 3 | 112.5 | R28 | R24-R28 WeakPolarHBondContact O-CG 3.37Å; R24-R28 PolarHBondContact O-N 2.87Å |
| 25 | Q | 77.4 | Confident | 68.9 | Low | 137 Ų | 137 | 135.4 Ų | 135.4 | 64% | 0.64 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -75.5 | -40 | 174.6 | -162.5 | 170 | 6.6 | 0 | 0 | 113.2 | S23 R28 N29 | S23-Q25 CarbonylContact O-C 3.58Å; S23-Q25 PolarHBondContact O-N 3.42Å; S23-Q25 PolarHBondContact OG-N 3.01Å; Q25-R28 PolarHBondContact O-N 3.24Å; Q25-N29 VanDerWaalsContact O-CG 3.32Å; Q25-N29 PolarHBondContact O-N 3.41Å |
| 26 | Q | 82.3 | Confident | 71.7 | Confident | 101 Ų | 101 | 138.7 Ų | 138.7 | 47% | 0.472 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -65.5 | -39.1 | 173.8 | -68.9 | 173.7 | -24.9 | 0 | 0 | 111.4 | L22 S23 N29 R30 | L22-Q26 VanDerWaalsContact CA-OE1 3.3Å; L22-Q26 HydrophobicContact CB-CB 3.98Å; L22-Q26 HydrophobicContact CD2-CB 3.68Å; L22-Q26 HydrophobicContact CD2-CG 4.35Å; L22-Q26 HydrophobicContact CG-CB 4.43Å; S23-Q26 VanDerWaalsContact N-OE1 3.1Å; S23-Q26 WeakPolarHBondContact O-CA 3.45Å; S23-Q26 WeakPolarHBondContact O-CB 3.12Å; S23-Q26 PolarHBondContact O-N 3.42Å; Q26-N29 PolarHBondContact O-N 3.38Å; Q26-R30 WeakPolarHBondContact O-CB 3.4Å; Q26-R30 PolarHBondContact O-N 2.87Å |
| 27 | E | 82.2 | Confident | 74.3 | Confident | 93 Ų | 93 | 140.1 Ų | 140.1 | 44% | 0.435 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -63.9 | -42.1 | 174.6 | -166.8 | 60.9 | -147.3 | 0 | 0 | 111.5 | S23 N29 R30 K31 | S23-E27 PolarHBondContact O-N 3.23Å; S23-E27 VanDerWaalsContact O-N 3.08Å; E27-N29 PolarHBondContact O-N 3.36Å; E27-R30 PolarHBondContact O-N 3.08Å; E27-K31 WeakPolarHBondContact O-CB 3.36Å; E27-K31 PolarHBondContact O-N 3.4Å |
| 28 | R | 85.3 | Confident | 76.9 | Confident | 179 Ų | 179 | 136.3 Ų | 136.3 | 68% | 0.675 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -60.7 | -42.5 | 172.8 | -77.3 | 176 | 74.7 | 176.3 | 2.5 | 111.8 | R24 Q25 K31 K32 | R24-R28 WeakPolarHBondContact O-CG 3.37Å; R24-R28 PolarHBondContact O-N 2.87Å; Q25-R28 PolarHBondContact O-N 3.24Å; R28-K31 PolarHBondContact O-N 3.38Å; R28-K32 PolarHBondContact O-N 2.76Å |
| 29 | N | 88.6 | Confident | 79.6 | Confident | 85 Ų | 85 | 130.5 Ų | 130.5 | 46% | 0.455 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67.6 | -40.2 | 178.9 | -73.6 | -15.6 | 0 | 0 | 0 | 112.1 | Q25 Q26 E27 K32 K33 | Q25-N29 VanDerWaalsContact O-CG 3.32Å; Q25-N29 PolarHBondContact O-N 3.41Å; Q26-N29 PolarHBondContact O-N 3.38Å; E27-N29 PolarHBondContact O-N 3.36Å; N29-K32 PolarHBondContact O-N 3.07Å; N29-K33 PolarHBondContact O-N 2.95Å |
| 30 | R | 87.5 | Confident | 81.8 | Confident | 144 Ų | 144 | 130.2 Ų | 130.2 | 54% | 0.543 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -61.9 | -43.7 | 173.8 | -168.7 | 179.9 | 175.2 | -177 | 0.2 | 111.3 | Q26 E27 K32 K33 L34 | Q26-R30 WeakPolarHBondContact O-CB 3.4Å; Q26-R30 PolarHBondContact O-N 2.87Å; E27-R30 PolarHBondContact O-N 3.08Å; R30-K32 PolarHBondContact O-N 2.97Å; R30-K33 PolarHBondContact O-N 3.5Å; R30-L34 HydrophobicContact CG-CD1 4.2Å; R30-L34 PolarHBondContact O-N 2.93Å |
| 31 | K | 88.6 | Confident | 83.9 | Confident | 146 Ų | 146 | 126.1 Ų | 126.1 | 64% | 0.635 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.5 | -36.9 | 176.7 | -153.9 | 169.9 | -173.4 | 172.6 | 0 | 112.5 | E27 R28 R35 | E27-K31 WeakPolarHBondContact O-CB 3.36Å; E27-K31 PolarHBondContact O-N 3.4Å; R28-K31 PolarHBondContact O-N 3.38Å; K31-R35 WeakPolarHBondContact O-CG 3.4Å; K31-R35 PolarHBondContact O-N 3.46Å |
| 32 | K | 90.5 | Very high | 85.7 | Confident | 142 Ų | 142 | 131.5 Ų | 131.5 | 62% | 0.617 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.3 | -46.3 | 171 | -79.2 | -176.6 | 175.9 | -176.4 | 0 | 111.8 | R28 N29 R30 L34 R35 K36 | R28-K32 PolarHBondContact O-N 2.76Å; N29-K32 PolarHBondContact O-N 3.07Å; R30-K32 PolarHBondContact O-N 2.97Å; K32-L34 PolarHBondContact O-N 3.49Å; K32-R35 PolarHBondContact O-N 3.32Å; K32-K36 PolarHBondContact O-N 3.32Å |
| 33 | K | 92.1 | Very high | 86.9 | Confident | 166 Ų | 166 | 136.4 Ų | 136.4 | 72% | 0.722 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -60.9 | -43.2 | 176.5 | -77 | -174.4 | 178.3 | -177.2 | 0 | 112.1 | N29 R30 K36 K37 | N29-K33 PolarHBondContact O-N 2.95Å; R30-K33 PolarHBondContact O-N 3.5Å; K33-K36 PolarHBondContact O-N 2.95Å; K33-K37 PolarHBondContact O-N 3.33Å |
| 34 | L | 91.4 | Very high | 87.6 | Confident | 108 Ų | 108 | 141.8 Ų | 141.8 | 57% | 0.565 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -61.6 | -43.6 | 175.8 | -85.6 | 153.5 | 0 | 0 | 0 | 112.5 | R30 K32 K37 A38 | R30-L34 HydrophobicContact CG-CD1 4.2Å; R30-L34 PolarHBondContact O-N 2.93Å; K32-L34 PolarHBondContact O-N 3.49Å; L34-K37 PolarHBondContact O-N 3.27Å; L34-A38 WeakPolarHBondContact O-CB 3.43Å; L34-A38 PolarHBondContact O-N 3.04Å |
| 35 | R | 90.3 | Very high | 88 | Confident | 198 Ų | 198 | 135.9 Ų | 135.9 | 75% | 0.747 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -63.1 | -41.2 | 175.2 | -73.4 | 179.6 | 83.1 | -161.7 | 5.3 | 112.2 | K31 K32 A38 S39 | K31-R35 WeakPolarHBondContact O-CG 3.4Å; K31-R35 PolarHBondContact O-N 3.46Å; K32-R35 PolarHBondContact O-N 3.32Å; R35-A38 PolarHBondContact O-N 3.38Å; R35-S39 WeakPolarHBondContact O-CB 3.47Å; R35-S39 PolarHBondContact O-N 3Å |
| 36 | K | 93.2 | Very high | 88.1 | Confident | 155 Ų | 155 | 135.5 Ų | 135.5 | 67% | 0.674 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -63.5 | -42.1 | 176.6 | -165.7 | 172.7 | -177.7 | 176.6 | 0 | 111.4 | K32 K33 S39 L40 | K32-K36 PolarHBondContact O-N 3.32Å; K33-K36 PolarHBondContact O-N 2.95Å; K36-S39 PolarHBondContact O-N 3.48Å; K36-L40 PolarHBondContact O-N 2.99Å |
| 37 | K | 93.5 | Very high | 88 | Confident | 168 Ų | 168 | 139.1 Ų | 139.1 | 73% | 0.73 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -65.4 | -41.7 | 176.3 | -163.3 | 173.8 | -177.6 | 178.6 | 0 | 112.2 | K33 L34 L40 K41 | K33-K37 PolarHBondContact O-N 3.33Å; L34-K37 PolarHBondContact O-N 3.27Å; K37-L40 PolarHBondContact O-N 2.95Å; K37-K41 PolarHBondContact O-N 3.4Å |
| 38 | A | 90.7 | Very high | 87.6 | Confident | 63 Ų | 63 | 141.4 Ų | 141.4 | 52% | 0.521 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -64.8 | -39.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L34 R35 K41 R42 | L34-A38 WeakPolarHBondContact O-CB 3.43Å; L34-A38 PolarHBondContact O-N 3.04Å; R35-A38 PolarHBondContact O-N 3.38Å; A38-K41 PolarHBondContact O-N 3.36Å; A38-R42 PolarHBondContact O-N 3.12Å |
| 39 | S | 89.9 | Confident | 86.4 | Confident | 80 Ų | 80 | 139.6 Ų | 139.6 | 56% | 0.559 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.2 | -41.2 | 174.8 | -172.1 | 0 | 0 | 0 | 0 | 112.4 | R35 K36 R42 R43 | R35-S39 WeakPolarHBondContact O-CB 3.47Å; R35-S39 PolarHBondContact O-N 3Å; K36-S39 PolarHBondContact O-N 3.48Å; S39-R42 PolarHBondContact O-N 3.48Å; S39-R43 PolarHBondContact O-N 3.34Å |
| 40 | L | 91.6 | Very high | 84.7 | Confident | 94 Ų | 94 | 141.2 Ų | 141.2 | 49% | 0.492 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -65.2 | -40.2 | 175.9 | -117.6 | 89.6 | 0 | 0 | 0 | 111.9 | K36 K37 R43 R44 | K36-L40 PolarHBondContact O-N 2.99Å; K37-L40 PolarHBondContact O-N 2.95Å; L40-R43 PolarHBondContact O-N 3.37Å; L40-R44 PolarHBondContact O-N 2.92Å |
| 41 | K | 90.2 | Very high | 82.6 | Confident | 134 Ų | 134 | 142 Ų | 142 | 58% | 0.583 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -62.2 | -46.9 | 176.6 | -165.2 | -171.3 | -178.8 | -153.8 | 0 | 111 | K37 A38 R43 R44 E45 | K37-K41 PolarHBondContact O-N 3.4Å; A38-K41 PolarHBondContact O-N 3.36Å; K41-R43 VanDerWaalsContact C-N 3.31Å; K41-R43 PolarHBondContact O-N 3.11Å; K41-R44 PolarHBondContact O-N 3.05Å; K41-R44 VanDerWaalsContact O-N 3.11Å; K41-E45 WeakPolarHBondContact CE-OE1 3.48Å; K41-E45 IonicContact NZ-OE1 3.42Å; K41-E45 PolarHBondContact NZ-OE1 3Å; K41-E45 WeakPolarHBondContact O-CG 3.4Å; K41-E45 PolarHBondContact O-N 3.35Å |
| 42 | R | 85.8 | Confident | 80.3 | Confident | 184 Ų | 184 | 143.6 Ų | 143.6 | 69% | 0.694 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -60.8 | -38.6 | 176.6 | -163.5 | 179 | -176.1 | -165.7 | 0 | 112.1 | A38 S39 E45 L46 | A38-R42 PolarHBondContact O-N 3.12Å; S39-R42 PolarHBondContact O-N 3.48Å; R42-E45 PolarHBondContact O-N 3.2Å; R42-L46 HydrophobicContact CG-CD1 4.34Å; R42-L46 WeakPolarHBondContact O-CB 3.47Å; R42-L46 WeakPolarHBondContact O-CD1 3.47Å; R42-L46 WeakPolarHBondContact O-CG 3.33Å; R42-L46 PolarHBondContact O-N 3.36Å |
| 43 | R | 86.4 | Confident | 77.8 | Confident | 197 Ų | 197 | 141.4 Ų | 141.4 | 74% | 0.743 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -66.5 | -35.7 | 174.8 | -173.3 | 176 | 171.8 | -173.1 | -2.6 | 112.7 | S39 L40 K41 K47 | S39-R43 PolarHBondContact O-N 3.34Å; L40-R43 PolarHBondContact O-N 3.37Å; K41-R43 VanDerWaalsContact C-N 3.31Å; K41-R43 PolarHBondContact O-N 3.11Å; R43-K47 PolarHBondContact O-N 3.36Å |
| 44 | R | 87.1 | Confident | 75.3 | Confident | 178 Ų | 178 | 141.3 Ų | 141.3 | 67% | 0.672 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -69.9 | -41.8 | 173.6 | -75.4 | -178 | 175.9 | 179 | -2.5 | 112 | L40 K41 L46 K47 N48 | L40-R44 PolarHBondContact O-N 2.92Å; K41-R44 PolarHBondContact O-N 3.05Å; K41-R44 VanDerWaalsContact O-N 3.11Å; R44-L46 VanDerWaalsContact C-N 3.34Å; R44-L46 PolarHBondContact O-N 3.05Å; R44-K47 PolarHBondContact O-N 3.11Å; R44-K47 VanDerWaalsContact O-N 3.12Å; R44-N48 PolarHBondContact O-N 3.29Å |
| 45 | E | 83.4 | Confident | 72.7 | Confident | 102 Ų | 102 | 139.4 Ų | 139.4 | 48% | 0.477 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -62.5 | -40.2 | 176.1 | -73 | 165.7 | -179.4 | 0 | 0 | 111.6 | K41 R42 K47 N48 | K41-E45 WeakPolarHBondContact CE-OE1 3.48Å; K41-E45 IonicContact NZ-OE1 3.42Å; K41-E45 PolarHBondContact NZ-OE1 3Å; K41-E45 WeakPolarHBondContact O-CG 3.4Å; K41-E45 PolarHBondContact O-N 3.35Å; R42-E45 PolarHBondContact O-N 3.2Å; E45-K47 VanDerWaalsContact C-N 3.26Å; E45-K47 PolarHBondContact O-N 3.27Å; E45-N48 PolarHBondContact O-N 3.29Å |
| 46 | L | 79.4 | Confident | 70 | Confident | 128 Ų | 128 | 136.5 Ų | 136.5 | 67% | 0.67 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -64.7 | -26.4 | 173.8 | -77.3 | 159.7 | 0 | 0 | 0 | 113.5 | R42 R44 | R42-L46 HydrophobicContact CG-CD1 4.34Å; R42-L46 WeakPolarHBondContact O-CB 3.47Å; R42-L46 WeakPolarHBondContact O-CD1 3.47Å; R42-L46 WeakPolarHBondContact O-CG 3.33Å; R42-L46 PolarHBondContact O-N 3.36Å; R44-L46 VanDerWaalsContact C-N 3.34Å; R44-L46 PolarHBondContact O-N 3.05Å |
| 47 | K | 79.8 | Confident | 67.5 | Low | 178 Ų | 178 | 137 Ų | 137 | 77% | 0.774 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -87.2 | -16.5 | -179.4 | -147.8 | 176.6 | -175.7 | -171.7 | 0 | 113.2 | R43 R44 E45 | R43-K47 PolarHBondContact O-N 3.36Å; R44-K47 PolarHBondContact O-N 3.11Å; R44-K47 VanDerWaalsContact O-N 3.12Å; E45-K47 VanDerWaalsContact C-N 3.26Å; E45-K47 PolarHBondContact O-N 3.27Å |
| 48 | N | 73.9 | Confident | 64.7 | Low | 140 Ų | 140 | 135.2 Ų | 135.2 | 75% | 0.749 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -97.4 | 3.8 | -179.8 | -79.5 | 4.1 | 0 | 0 | 0 | 113.7 | R44 E45 | R44-N48 PolarHBondContact O-N 3.29Å; E45-N48 PolarHBondContact O-N 3.29Å |
| 49 | Q | 61.3 | Low | 62.3 | Low | 141 Ų | 141 | 142.6 Ų | 142.6 | 66% | 0.659 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -81.6 | 123.5 | 169.3 | -74.2 | -90.5 | -2.7 | 0 | 0 | 108.6 | N51 | Q49-N51 PolarHBondContact O-N 3.15Š|
| 50 | P | 51.6 | Low | 60 | Low | 120 Ų | 120 | 144.4 Ų | 144.4 | 78% | 0.779 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 116.5 | 177 | 27.4 | -30.8 | 0 | 0 | 0 | 110 | ||
| 51 | N | 44.3 | Very low | 57.1 | Low | 160 Ų | 160 | 147.5 Ų | 147.5 | 86% | 0.856 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 124.2 | 175.4 | -83.8 | -16.7 | 0 | 0 | 0 | 110.9 | Q49 | Q49-N51 PolarHBondContact O-N 3.15Š|
| 52 | L | 40.6 | Very low | 54.8 | Low | 180 Ų | 180 | 145 Ų | 145 | 94% | 0.942 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 128.3 | 154.3 | -84.7 | 146.4 | 0 | 0 | 0 | 108.5 | ||
| 53 | S | 37.9 | Very low | 52.2 | Low | 96 Ų | 96 | 141.7 Ų | 141.7 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 153 | -170.1 | 53.7 | 0 | 0 | 0 | 0 | 114.5 | ||
| 54 | N | 38.3 | Very low | 49.9 | Very low | 164 Ų | 164 | 140.5 Ų | 140.5 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | trans | 145.8 | 129.5 | 138.6 | -73.3 | -11.7 | 0 | 0 | 0 | 109.3 | ||||
| 55 | G | 38.6 | Very low | 47.6 | Very low | 67 Ų | 67 | 139.6 Ų | 139.6 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | cis | -162.7 | 130.8 | -0.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 56 | V | 33.3 | Very low | 45.2 | Very low | 138 Ų | 138 | 141.6 Ų | 141.6 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | 56.2 | 108.6 | 112.5 | -174.5 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 57 | L | 39.3 | Very low | 43.2 | Very low | 164 Ų | 164 | 144 Ų | 144 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | -157.6 | 136.7 | 123.6 | -103.4 | 170.9 | 0 | 0 | 0 | 108.9 | |||||
| 58 | D | 35.3 | Very low | 41 | Very low | 132 Ų | 132 | 138.8 Ų | 138.8 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | -126.5 | 139.2 | -159.8 | -162.2 | 19.9 | 0 | 0 | 0 | 108.1 | ||||
| 59 | Y | 40.3 | Very low | 39.3 | Very low | 217 Ų | 217 | 138.2 Ų | 138.2 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -150.9 | 142.4 | 157.3 | -80.7 | -71.5 | 0 | 0 | 0 | 110.5 | ||||
| 60 | P | 40.8 | Very low | 38.1 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | -106.1 | 164.4 | -147.5 | 37.6 | -28.6 | 0 | 0 | 0 | 115.8 | ||||
| 61 | N | 32.7 | Very low | 37.6 | Very low | 159 Ų | 159 | 138.7 Ų | 138.7 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | trans | -59.5 | 149.7 | 178.1 | -76 | -37.6 | 0 | 0 | 0 | 115.2 | ||||
| 62 | G | 39.9 | Very low | 37.4 | Very low | 82 Ų | 82 | 139.8 Ų | 139.8 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | -124.1 | 125.4 | 151.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 63 | V | 33 | Very low | 37.2 | Very low | 114 Ų | 114 | 136.7 Ų | 136.7 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | trans | -109.4 | 140.1 | 179.5 | 171.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 64 | H | 37.3 | Very low | 37.5 | Very low | 172 Ų | 172 | 140.9 Ų | 140.9 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | trans | -160.8 | 106.6 | 154.2 | -129.7 | -77.2 | 0 | 0 | 0 | 105.4 | ||||
| 65 | E | 38.3 | Very low | 37.4 | Very low | 158 Ų | 158 | 141.1 Ų | 141.1 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | 47.4 | 129.6 | 81.3 | -65.3 | -171.4 | -175.7 | 0 | 0 | 112.8 | |||||
| 66 | D | 33.4 | Very low | 37.3 | Very low | 145 Ų | 145 | 146.7 Ų | 146.7 | 78% | 0.775 | 81% | 0.807 | S | S | * | * | cis | -173.8 | 175.3 | -16.3 | -170.6 | 6.8 | 0 | 0 | 0 | 103.8 | ||||
| 67 | E | 37.8 | Very low | 37.7 | Very low | 177 Ų | 177 | 147.8 Ų | 147.8 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | trans | 81.5 | 128.2 | 169.4 | -48.9 | -93.9 | 151.8 | 0 | 0 | 115.3 | ||||
| 68 | G | 33.8 | Very low | 37.6 | Very low | 69 Ų | 69 | 146.2 Ų | 146.2 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | cis | 142.5 | 105.1 | 8.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 69 | S | 38.7 | Very low | 37.7 | Very low | 129 Ų | 129 | 147.8 Ų | 147.8 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | -179.5 | 134.2 | 155 | 45.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 70 | D | 35.1 | Very low | 37.7 | Very low | 166 Ų | 166 | 144.7 Ų | 144.7 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | trans | -79.3 | 161.8 | -170.1 | -148.1 | 25.8 | 0 | 0 | 0 | 113.7 | ||||
| 71 | P | 40.2 | Very low | 37.5 | Very low | 105 Ų | 105 | 145.3 Ų | 145.3 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | trans | -108.8 | 164.6 | -155.9 | 41.8 | -35.8 | 0 | 0 | 0 | 116.1 | ||||
| 72 | E | 41.3 | Very low | 38 | Very low | 182 Ų | 182 | 144.8 Ų | 144.8 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | trans | -115.5 | 138.9 | 161.9 | -86.5 | -87.1 | 138.5 | 0 | 0 | 109.3 | ||||
| 73 | P | 37 | Very low | 38.1 | Very low | 116 Ų | 116 | 147.8 Ų | 147.8 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | trans | -98.1 | 113.4 | -173.2 | 34.9 | -25.9 | 0 | 0 | 0 | 111.8 | ||||
| 74 | E | 43.9 | Very low | 38.8 | Very low | 184 Ų | 184 | 144.1 Ų | 144.1 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | trans | -102.4 | 142 | 164.9 | -67.5 | -170.9 | -168.5 | 0 | 0 | 111.1 | E76 | E74-E76 PolarHBondContact O-N 3.28Š| ||
| 75 | D | 34.8 | Very low | 39.5 | Very low | 169 Ų | 169 | 141.3 Ų | 141.3 | 90% | 0.904 | 74% | 0.744 | S | S | * | * | trans | -62.7 | 89.9 | -164.5 | -67.8 | -57.5 | 0 | 0 | 0 | 114.3 | I77 | D75-I77 PolarHBondContact O-N 2.91Š| ||
| 76 | E | 37.8 | Very low | 39.9 | Very low | 183 Ų | 183 | 141 Ų | 141 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | trans | -85.5 | 113.4 | 170.2 | -77.7 | -174 | 171.4 | 0 | 0 | 112.5 | E74 I78 | E74-E76 PolarHBondContact O-N 3.28Å; E76-I78 PolarHBondContact O-N 2.93Å | ||
| 77 | I | 41.9 | Very low | 40.8 | Very low | 161 Ų | 161 | 139.3 Ų | 139.3 | 83% | 0.826 | 73% | 0.728 | S | S | * | * | trans | -33.6 | 120.6 | 162.4 | -63.2 | 160.3 | 0 | 0 | 0 | 110.3 | D75 E79 | D75-I77 PolarHBondContact O-N 2.91Å; I77-E79 VanDerWaalsContact C-N 3.25Å; I77-E79 PolarHBondContact O-N 2.9Å | ||
| 78 | I | 35.5 | Very low | 41.6 | Very low | 131 Ų | 131 | 139.7 Ų | 139.7 | 67% | 0.672 | 72% | 0.722 | S | S | * | * | trans | -66.2 | 86.9 | 176.3 | -55.2 | 171.3 | 0 | 0 | 0 | 109.1 | E76 F80 | E76-I78 PolarHBondContact O-N 2.93Å; I78-F80 HydrophobicContact CB-CD2 4.47Å; I78-F80 HydrophobicContact CB-CE2 4.26Å; I78-F80 HydrophobicContact CG2-CD2 3.62Å; I78-F80 HydrophobicContact CG2-CE1 4.41Å; I78-F80 HydrophobicContact CG2-CE2 3.44Å; I78-F80 VanDerWaalsContact CG2-CE2 3.44Å; I78-F80 HydrophobicContact CG2-CG 4.2Å; I78-F80 HydrophobicContact CG2-CZ 3.87Å; I78-F80 PolarHBondContact O-N 2.82Å; I78-F80 VanDerWaalsContact O-N 3.08Å | ||
| 79 | E | 38.7 | Very low | 42.1 | Very low | 165 Ų | 165 | 143.6 Ų | 143.6 | 77% | 0.771 | 72% | 0.72 | S | S | * | * | trans | -69.4 | 99.6 | 161.7 | -166.5 | -179.5 | -173 | 0 | 0 | 107.2 | I77 Q81 | I77-E79 VanDerWaalsContact C-N 3.25Å; I77-E79 PolarHBondContact O-N 2.9Å; E79-Q81 VanDerWaalsContact C-N 3.25Å; E79-Q81 PolarHBondContact O-N 2.95Å | ||
| 80 | F | 39.4 | Very low | 42.5 | Very low | 153 Ų | 153 | 144.9 Ų | 144.9 | 67% | 0.671 | 71% | 0.709 | S | S | * | * | trans | -66 | 88.8 | 172.5 | -83.8 | -86.8 | 0 | 0 | 0 | 109.3 | I78 Y82 | I78-F80 HydrophobicContact CB-CD2 4.47Å; I78-F80 HydrophobicContact CB-CE2 4.26Å; I78-F80 HydrophobicContact CG2-CD2 3.62Å; I78-F80 HydrophobicContact CG2-CE1 4.41Å; I78-F80 HydrophobicContact CG2-CE2 3.44Å; I78-F80 VanDerWaalsContact CG2-CE2 3.44Å; I78-F80 HydrophobicContact CG2-CG 4.2Å; I78-F80 HydrophobicContact CG2-CZ 3.87Å; I78-F80 PolarHBondContact O-N 2.82Å; I78-F80 VanDerWaalsContact O-N 3.08Å; F80-Y82 HydrophobicContact CB-CE2 4.27Å; F80-Y82 VanDerWaalsContact O-CD2 3.3Å; F80-Y82 WeakPolarHBondContact O-CD2 3.31Å; F80-Y82 PolarHBondContact O-N 2.95Å | ||
| 81 | Q | 36.3 | Very low | 43.2 | Very low | 131 Ų | 131 | 143.8 Ų | 143.8 | 61% | 0.612 | 70% | 0.702 | S | S | * | * | trans | -62.8 | 100 | 171.5 | -140 | 177.2 | 62.1 | 0 | 0 | 108.9 | E79 K83 | E79-Q81 VanDerWaalsContact C-N 3.25Å; E79-Q81 PolarHBondContact O-N 2.95Å; Q81-K83 HydrophobicContact CG-CG 4.39Å; Q81-K83 PolarHBondContact O-N 3.03Å | ||
| 82 | Y | 44.6 | Very low | 43.5 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 58% | 0.58 | 70% | 0.701 | S | S | * | * | trans | -72.8 | 75.4 | 171 | -82.9 | -97.3 | 0 | 0 | 0 | 109.6 | F80 G84 K221 | F80-Y82 HydrophobicContact CB-CE2 4.27Å; F80-Y82 VanDerWaalsContact O-CD2 3.3Å; F80-Y82 WeakPolarHBondContact O-CD2 3.31Å; F80-Y82 PolarHBondContact O-N 2.95Å; Y82-G84 PolarHBondContact O-N 3.4Å; Y82-G84 VanDerWaalsContact O-N 3.1Å; Y82-K221 VanDerWaalsContact CZ-NZ 3.35Å; Y82-K221 VanDerWaalsContact OH-CD 3.32Å; Y82-K221 WeakPolarHBondContact OH-CD 3.36Å; Y82-K221 VanDerWaalsContact OH-CE 3.26Å; Y82-K221 WeakPolarHBondContact OH-CE 3.35Å; Y82-K221 PolarHBondContact OH-NZ 3.43Å | ||
| 83 | K | 41.7 | Very low | 43.4 | Very low | 145 Ų | 145 | 141.3 Ų | 141.3 | 63% | 0.63 | 70% | 0.7 | S | S | * | * | trans | -74.9 | 97.8 | 169.5 | -80.3 | -170.6 | 165.8 | 163 | 0 | 110.4 | Q81 E87 | Q81-K83 HydrophobicContact CG-CG 4.39Å; Q81-K83 PolarHBondContact O-N 3.03Å; K83-E87 VanDerWaalsContact CE-OE1 3.29Å; K83-E87 WeakPolarHBondContact CE-OE1 3.48Å; K83-E87 WeakPolarHBondContact CG-OE1 3.45Å | ||
| 84 | G | 47.6 | Very low | 44 | Very low | 37 Ų | 37 | 143 Ų | 143 | 38% | 0.381 | 70% | 0.703 | S | S | . | * | S | Bend | trans | 125.7 | 144.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y82 | Y82-G84 PolarHBondContact O-N 3.4Å; Y82-G84 VanDerWaalsContact O-N 3.1Å |
| 85 | P | 52 | Low | 43.9 | Very low | 113 Ų | 113 | 143.7 Ų | 143.7 | 73% | 0.734 | 71% | 0.706 | S | S | * | * | S | Bend | cis | -82.2 | 17.6 | -28.9 | -14.9 | 33.4 | 0 | 0 | 0 | 115.3 | E87 | P85-E87 VanDerWaalsContact C-N 3.35Å; P85-E87 PolarHBondContact O-N 3.45Å |
| 86 | F | 46.4 | Very low | 44.5 | Very low | 153 Ų | 153 | 140.2 Ų | 140.2 | 67% | 0.671 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -79.8 | -7.6 | -172.6 | -72.1 | -87.2 | 0 | 0 | 0 | 115.4 | R88 F89 | F86-R88 PolarHBondContact O-N 3Å; F86-F89 PolarHBondContact O-N 3.31Å |
| 87 | E | 51.5 | Low | 44.5 | Very low | 108 Ų | 108 | 139.4 Ų | 139.4 | 51% | 0.505 | 70% | 0.703 | S | S | . | * | G | 310 helix | trans | -67.8 | -10.7 | 175 | -74.2 | 178.7 | 160.6 | 0 | 0 | 113.7 | K83 P85 F89 | K83-E87 VanDerWaalsContact CE-OE1 3.29Å; K83-E87 WeakPolarHBondContact CE-OE1 3.48Å; K83-E87 WeakPolarHBondContact CG-OE1 3.45Å; P85-E87 VanDerWaalsContact C-N 3.35Å; P85-E87 PolarHBondContact O-N 3.45Å; E87-F89 VanDerWaalsContact C-N 3.26Å; E87-F89 PolarHBondContact O-N 3.29Å |
| 88 | R | 55 | Low | 44.5 | Very low | 185 Ų | 185 | 137.5 Ų | 137.5 | 70% | 0.698 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -79.9 | -5.7 | 174.4 | -148.6 | 176.1 | -170.5 | -158.3 | 0.7 | 113.7 | F86 R114 | F86-R88 PolarHBondContact O-N 3Å; R88-R114 PolarHBondContact O-NH2 3.04Å |
| 89 | F | 45.8 | Very low | 44.7 | Very low | 152 Ų | 152 | 137.8 Ų | 137.8 | 67% | 0.667 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -123.9 | 8 | -175.5 | -71.5 | -78.2 | 0 | 0 | 0 | 114.2 | F86 E87 L91 | F86-F89 PolarHBondContact O-N 3.31Å; E87-F89 VanDerWaalsContact C-N 3.26Å; E87-F89 PolarHBondContact O-N 3.29Å; F89-L91 PolarHBondContact O-N 3.28Å; F89-L91 VanDerWaalsContact O-N 3.12Å |
| 90 | K | 47.2 | Very low | 44.9 | Very low | 156 Ų | 156 | 135 Ų | 135 | 68% | 0.678 | 71% | 0.707 | S | S | * | * | trans | -70.3 | 110.3 | 172 | -68.3 | -168.3 | 174.4 | -168.8 | 0 | 108.9 | ||||
| 91 | L | 48.5 | Very low | 44.6 | Very low | 143 Ų | 143 | 132.5 Ų | 132.5 | 75% | 0.749 | 71% | 0.708 | S | S | * | * | trans | -58.9 | 128.8 | 160.7 | -79.6 | 143.6 | 0 | 0 | 0 | 106.6 | F89 D93 | F89-L91 PolarHBondContact O-N 3.28Å; F89-L91 VanDerWaalsContact O-N 3.12Å; L91-D93 PolarHBondContact O-N 3.34Å | ||
| 92 | A | 47.3 | Very low | 45.1 | Very low | 80 Ų | 80 | 136 Ų | 136 | 66% | 0.661 | 72% | 0.722 | S | S | * | * | trans | -73 | 109.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 106.7 | D94 | A92-D94 PolarHBondContact O-N 3.15Š| ||
| 93 | D | 39 | Very low | 44.8 | Very low | 155 Ų | 155 | 134.5 Ų | 134.5 | 83% | 0.829 | 73% | 0.73 | S | S | * | * | trans | -82.4 | 94.1 | 163.4 | -64.9 | -39.2 | 0 | 0 | 0 | 105.9 | L91 | L91-D93 PolarHBondContact O-N 3.34Š| ||
| 94 | D | 50.3 | Low | 44.6 | Very low | 150 Ų | 150 | 133.3 Ų | 133.3 | 80% | 0.802 | 74% | 0.735 | S | S | * | * | trans | -94.1 | 110.4 | 169.6 | -74.6 | -36.7 | 0 | 0 | 0 | 108.4 | A92 A96 | A92-D94 PolarHBondContact O-N 3.15Å; D94-A96 PolarHBondContact O-N 3.41Å | ||
| 95 | E | 40.7 | Very low | 44.6 | Very low | 199 Ų | 199 | 135 Ų | 135 | 93% | 0.93 | 74% | 0.741 | S | S | * | * | trans | -58 | 124.6 | 161.3 | -77.9 | -155.4 | 149.8 | 0 | 0 | 110.2 | ||||
| 96 | A | 47.3 | Very low | 44.3 | Very low | 96 Ų | 96 | 136.3 Ų | 136.3 | 79% | 0.793 | 74% | 0.737 | S | S | * | * | trans | -164.6 | 100.1 | 150.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | D94 S98 | D94-A96 PolarHBondContact O-N 3.41Å; A96-S98 PolarHBondContact O-N 3.17Å | ||
| 97 | D | 37.1 | Very low | 44.7 | Very low | 167 Ų | 167 | 134.1 Ų | 134.1 | 89% | 0.893 | 74% | 0.736 | S | S | * | * | trans | -56.8 | 122 | 160.3 | -83.4 | -42.4 | 0 | 0 | 0 | 110.9 | ||||
| 98 | S | 42.9 | Very low | 44.8 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 84% | 0.839 | 73% | 0.734 | S | S | * | * | trans | 169.2 | 123.1 | 136.4 | 45.1 | 0 | 0 | 0 | 0 | 111.8 | A96 | A96-S98 PolarHBondContact O-N 3.17Š| ||
| 99 | V | 40.1 | Very low | 44.9 | Very low | 137 Ų | 137 | 129.3 Ų | 129.3 | 83% | 0.83 | 73% | 0.726 | S | S | * | * | trans | -77.8 | 150 | 172.9 | -153.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 100 | P | 41.8 | Very low | 45.7 | Very low | 108 Ų | 108 | 126.7 Ų | 126.7 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | cis | -153 | 168 | 39.2 | 40.4 | -16.9 | 0 | 0 | 0 | 120.1 | ||||
| 101 | S | 34.6 | Very low | 46.5 | Very low | 99 Ų | 99 | 124.8 Ų | 124.8 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | trans | 56.1 | 96.1 | 146 | 62.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 102 | K | 46.3 | Very low | 47.7 | Very low | 205 Ų | 205 | 125 Ų | 125 | 89% | 0.891 | 71% | 0.711 | S | S | * | * | trans | -176.4 | 147.5 | 130 | -97 | 154.8 | -170.1 | 179.2 | 0 | 109.7 | ||||
| 103 | P | 38.7 | Very low | 48.9 | Very low | 116 Ų | 116 | 123.9 Ų | 123.9 | 75% | 0.753 | 70% | 0.702 | S | S | * | * | trans | -75.7 | 170 | -174.9 | 33.4 | -32.1 | 0 | 0 | 0 | 110.4 | ||||
| 104 | V | 37.2 | Very low | 50.2 | Low | 121 Ų | 121 | 123 Ų | 123 | 73% | 0.733 | 69% | 0.687 | S | S | * | * | trans | 122.7 | 91.7 | 159 | -174.7 | 0 | 0 | 0 | 0 | 115.5 | H106 | V104-H106 PolarHBondContact O-N 3.4Š| ||
| 105 | S | 46.5 | Very low | 51.1 | Low | 72 Ų | 72 | 119.5 Ų | 119.5 | 50% | 0.503 | 67% | 0.671 | S | S | . | * | 49.2 | 43.4 | 129 | 80.8 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 106 | H | 46.9 | Very low | 52.6 | Low | 141 Ų | 141 | 112.8 Ų | 112.8 | 65% | 0.653 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -89.8 | -16.1 | 177.6 | -163.2 | -99.1 | 0 | 0 | 0 | 115.5 | V104 | V104-H106 PolarHBondContact O-N 3.4Š|
| 107 | T | 53.1 | Low | 54 | Low | 106 Ų | 106 | 111 Ų | 111 | 65% | 0.65 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -79.1 | -29.2 | -179.7 | 50.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 108 | D | 55 | Low | 55.5 | Low | 89 Ų | 89 | 108.2 Ų | 108.2 | 48% | 0.476 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -78.5 | -24.4 | -175.3 | -66.1 | -23.5 | 0 | 0 | 0 | 113.5 | K112 | D108-K112 WeakPolarHBondContact O-CB 3.49Å; D108-K112 WeakPolarHBondContact O-CG 3.26Å; D108-K112 PolarHBondContact O-N 2.94Å |
| 109 | I | 56.1 | Low | 57 | Low | 103 Ų | 103 | 107.4 Ų | 107.4 | 53% | 0.528 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -70.4 | -39.7 | -177.7 | -61.1 | 168.9 | 0 | 0 | 0 | 110.2 | A113 | I109-A113 WeakPolarHBondContact O-CB 3.45Å; I109-A113 PolarHBondContact O-N 2.92Å |
| 110 | N | 63.2 | Low | 58.6 | Low | 97 Ų | 97 | 103.8 Ų | 103.8 | 52% | 0.519 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -72.2 | -33.8 | 177.9 | -90 | -44.1 | 0 | 0 | 0 | 113.1 | R114 | N110-R114 WeakPolarHBondContact O-CB 3.41Å; N110-R114 VanDerWaalsContact O-CG 3.23Å; N110-R114 WeakPolarHBondContact O-CG 3.37Å; N110-R114 PolarHBondContact O-N 3.18Å; N110-R114 VanDerWaalsContact O-N 3.15Å |
| 111 | L | 64.1 | Low | 60.1 | Low | 117 Ų | 117 | 104 Ų | 104 | 61% | 0.613 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.9 | -47.2 | 172.1 | -94.2 | 84.6 | 0 | 0 | 0 | 111.2 | A113 R114 T115 | L111-A113 PolarHBondContact O-N 2.78Å; L111-R114 PolarHBondContact O-N 3.42Å; L111-T115 WeakPolarHBondContact O-CG2 3.47Å; L111-T115 PolarHBondContact O-N 3.02Å; L111-T115 PolarHBondContact O-OG1 3.38Å; L111-T115 VanDerWaalsContact O-OG1 3.1Å |
| 112 | K | 73.3 | Confident | 61.6 | Low | 146 Ų | 146 | 100.9 Ų | 100.9 | 64% | 0.635 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61.4 | -42.4 | -180 | -75.9 | 174.1 | -176.8 | 171.5 | 0 | 112.3 | D108 T115 A116 | D108-K112 WeakPolarHBondContact O-CB 3.49Å; D108-K112 WeakPolarHBondContact O-CG 3.26Å; D108-K112 PolarHBondContact O-N 2.94Å; K112-T115 WeakPolarHBondContact CA-OG1 3.36Å; K112-T115 PolarHBondContact O-N 3.01Å; K112-T115 PolarHBondContact O-OG1 3.07Å; K112-A116 VanDerWaalsContact O-CB 3.3Å; K112-A116 WeakPolarHBondContact O-CB 3.39Å; K112-A116 PolarHBondContact O-N 2.9Å |
| 113 | A | 73.6 | Confident | 62.7 | Low | 58 Ų | 58 | 94 Ų | 94 | 48% | 0.479 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.5 | -41.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I109 L111 A116 A117 | I109-A113 WeakPolarHBondContact O-CB 3.45Å; I109-A113 PolarHBondContact O-N 2.92Å; L111-A113 PolarHBondContact O-N 2.78Å; A113-A116 PolarHBondContact O-N 3.11Å; A113-A117 WeakPolarHBondContact O-CB 3.22Å; A113-A117 PolarHBondContact O-N 3.31Å |
| 114 | R | 64.8 | Low | 64.3 | Low | 137 Ų | 137 | 92.2 Ų | 92.2 | 52% | 0.517 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 175.9 | -76.3 | 176.2 | 117.6 | 170.9 | 3 | 112.3 | R88 N110 L111 A117 L118 | R88-R114 PolarHBondContact O-NH2 3.04Å; N110-R114 WeakPolarHBondContact O-CB 3.41Å; N110-R114 VanDerWaalsContact O-CG 3.23Å; N110-R114 WeakPolarHBondContact O-CG 3.37Å; N110-R114 PolarHBondContact O-N 3.18Å; N110-R114 VanDerWaalsContact O-N 3.15Å; L111-R114 PolarHBondContact O-N 3.42Å; R114-A117 PolarHBondContact O-N 3.18Å; R114-L118 PolarHBondContact O-N 2.73Å; R114-L118 VanDerWaalsContact O-N 3.13Å |
| 115 | T | 69.1 | Low | 65.7 | Low | 76 Ų | 76 | 88.1 Ų | 88.1 | 47% | 0.466 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.2 | -39.6 | 175.5 | 51.5 | 0 | 0 | 0 | 0 | 111.8 | L111 K112 L118 L119 | L111-T115 WeakPolarHBondContact O-CG2 3.47Å; L111-T115 PolarHBondContact O-N 3.02Å; L111-T115 PolarHBondContact O-OG1 3.38Å; L111-T115 VanDerWaalsContact O-OG1 3.1Å; K112-T115 WeakPolarHBondContact CA-OG1 3.36Å; K112-T115 PolarHBondContact O-N 3.01Å; K112-T115 PolarHBondContact O-OG1 3.07Å; T115-L118 PolarHBondContact O-N 2.82Å; T115-L119 WeakPolarHBondContact O-CG 3.17Å; T115-L119 PolarHBondContact O-N 3.06Å |
| 116 | A | 73.7 | Confident | 66.5 | Low | 57 Ų | 57 | 88.5 Ų | 88.5 | 47% | 0.471 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.1 | -39.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | K112 A113 L119 A120 | K112-A116 VanDerWaalsContact O-CB 3.3Å; K112-A116 WeakPolarHBondContact O-CB 3.39Å; K112-A116 PolarHBondContact O-N 2.9Å; A113-A116 PolarHBondContact O-N 3.11Å; A116-L119 PolarHBondContact O-N 3.41Å; A116-A120 WeakPolarHBondContact O-CB 3.41Å; A116-A120 PolarHBondContact O-N 3.5Å |
| 117 | A | 74.9 | Confident | 67.5 | Low | 59 Ų | 59 | 86 Ų | 86 | 49% | 0.488 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.9 | -40.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A113 R114 A120 E121 | A113-A117 WeakPolarHBondContact O-CB 3.22Å; A113-A117 PolarHBondContact O-N 3.31Å; R114-A117 PolarHBondContact O-N 3.18Å; A117-A120 PolarHBondContact O-N 2.93Å; A117-E121 WeakPolarHBondContact O-CB 3.43Å; A117-E121 PolarHBondContact O-N 3.16Å |
| 118 | L | 68.9 | Low | 68.2 | Low | 109 Ų | 109 | 82.3 Ų | 82.3 | 57% | 0.571 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66.2 | -41 | 175 | -73.2 | 173.5 | 0 | 0 | 0 | 112 | R114 T115 A120 E121 E122 | R114-L118 PolarHBondContact O-N 2.73Å; R114-L118 VanDerWaalsContact O-N 3.13Å; T115-L118 PolarHBondContact O-N 2.82Å; L118-A120 VanDerWaalsContact C-N 3.35Å; L118-E121 PolarHBondContact O-N 3.24Å; L118-E122 WeakPolarHBondContact O-CB 3.38Å; L118-E122 PolarHBondContact O-N 2.89Å |
| 119 | L | 74.3 | Confident | 68.5 | Low | 103 Ų | 103 | 81.2 Ų | 81.2 | 54% | 0.539 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.1 | -37.1 | 174.9 | -73.4 | 171.5 | 0 | 0 | 0 | 112.1 | T115 A116 E122 A123 | T115-L119 WeakPolarHBondContact O-CG 3.17Å; T115-L119 PolarHBondContact O-N 3.06Å; A116-L119 PolarHBondContact O-N 3.41Å; L119-E122 PolarHBondContact O-N 3.26Å; L119-A123 WeakPolarHBondContact O-CB 3.35Å; L119-A123 PolarHBondContact O-N 2.76Å |
| 120 | A | 75.1 | Confident | 68.9 | Low | 60 Ų | 60 | 86.3 Ų | 86.3 | 50% | 0.496 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69 | -39.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A116 A117 L118 E122 A123 S124 | A116-A120 WeakPolarHBondContact O-CB 3.41Å; A116-A120 PolarHBondContact O-N 3.5Å; A117-A120 PolarHBondContact O-N 2.93Å; L118-A120 VanDerWaalsContact C-N 3.35Å; A120-E122 VanDerWaalsContact C-N 3.32Å; A120-A123 PolarHBondContact O-N 3.3Å; A120-S124 VanDerWaalsContact O-CB 3.29Å; A120-S124 WeakPolarHBondContact O-CB 3.43Å; A120-S124 PolarHBondContact O-N 3.28Å |
| 121 | E | 71.9 | Confident | 69 | Low | 113 Ų | 113 | 89.9 Ų | 89.9 | 53% | 0.528 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63 | -39.9 | 173 | -171.9 | 174.8 | 177.4 | 0 | 0 | 110.9 | A117 L118 S124 A125 | A117-E121 WeakPolarHBondContact O-CB 3.43Å; A117-E121 PolarHBondContact O-N 3.16Å; L118-E121 PolarHBondContact O-N 3.24Å; E121-S124 WeakPolarHBondContact O-CB 3.46Å; E121-A125 WeakPolarHBondContact O-CB 3.5Å; E121-A125 PolarHBondContact O-N 3.27Å |
| 122 | E | 67.1 | Low | 68.7 | Low | 33 Ų | 33 | 88.2 Ų | 88.2 | 15% | 0.154 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -68.1 | -42.7 | 175.9 | -171.2 | 170 | 150.8 | 0 | 0 | 112.7 | L118 L119 A120 S124 A125 N126 S175 A178 | L118-E122 WeakPolarHBondContact O-CB 3.38Å; L118-E122 PolarHBondContact O-N 2.89Å; L119-E122 PolarHBondContact O-N 3.26Å; A120-E122 VanDerWaalsContact C-N 3.32Å; E122-S124 VanDerWaalsContact C-N 3.34Å; E122-S124 PolarHBondContact O-N 3.42Å; E122-A125 PolarHBondContact O-N 2.87Å; E122-N126 WeakPolarHBondContact O-CB 3.49Å; E122-N126 PolarHBondContact O-N 2.67Å; E122-S175 VanDerWaalsContact CD-OG 3.29Å; E122-S175 PolarHBondContact OE2-OG 3.43Å; E122-A178 WeakPolarHBondContact OE1-CB 3.14Å |
| 123 | A | 69.3 | Low | 67.6 | Low | 60 Ų | 60 | 86.3 Ų | 86.3 | 50% | 0.496 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L119 A120 N126 E127 | L119-A123 WeakPolarHBondContact O-CB 3.35Å; L119-A123 PolarHBondContact O-N 2.76Å; A120-A123 PolarHBondContact O-N 3.3Å; A123-N126 PolarHBondContact O-N 3.06Å; A123-E127 WeakPolarHBondContact O-CB 3.47Å; A123-E127 PolarHBondContact O-N 3.01Å |
| 124 | S | 71.5 | Confident | 66.4 | Low | 80 Ų | 80 | 87.2 Ų | 87.2 | 56% | 0.559 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60.1 | -44.1 | 172.7 | 158.9 | 0 | 0 | 0 | 0 | 112.3 | A120 E121 E122 E127 A128 | A120-S124 VanDerWaalsContact O-CB 3.29Å; A120-S124 WeakPolarHBondContact O-CB 3.43Å; A120-S124 PolarHBondContact O-N 3.28Å; E121-S124 WeakPolarHBondContact O-CB 3.46Å; E122-S124 VanDerWaalsContact C-N 3.34Å; E122-S124 PolarHBondContact O-N 3.42Å; S124-E127 PolarHBondContact O-N 3.37Å; S124-A128 WeakPolarHBondContact O-CB 3.18Å; S124-A128 PolarHBondContact O-N 3.42Å |
| 125 | A | 66.3 | Low | 65.4 | Low | 35 Ų | 35 | 89.7 Ų | 89.7 | 29% | 0.289 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.6 | -38.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E121 E122 A128 R129 | E121-A125 WeakPolarHBondContact O-CB 3.5Å; E121-A125 PolarHBondContact O-N 3.27Å; E122-A125 PolarHBondContact O-N 2.87Å; A125-A128 PolarHBondContact O-N 3.23Å; A125-R129 WeakPolarHBondContact O-CG 3.31Å; A125-R129 PolarHBondContact O-N 3.39Å |
| 126 | N | 64.5 | Low | 63.9 | Low | 80 Ų | 80 | 92.3 Ų | 92.3 | 43% | 0.428 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.7 | -40 | 175.6 | -84.3 | -16.9 | 0 | 0 | 0 | 112.4 | E122 A123 R129 R130 | E122-N126 WeakPolarHBondContact O-CB 3.49Å; E122-N126 PolarHBondContact O-N 2.67Å; A123-N126 PolarHBondContact O-N 3.06Å; N126-R129 WeakPolarHBondContact O-CB 3.07Å; N126-R129 PolarHBondContact O-N 2.9Å; N126-R130 PolarHBondContact O-N 3.44Å |
| 127 | E | 68.4 | Low | 62.4 | Low | 87 Ų | 87 | 95.8 Ų | 95.8 | 41% | 0.407 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 172.8 | 178.7 | 57.1 | -158.6 | 0 | 0 | 111.2 | A123 S124 R129 R130 R131 | A123-E127 WeakPolarHBondContact O-CB 3.47Å; A123-E127 PolarHBondContact O-N 3.01Å; S124-E127 PolarHBondContact O-N 3.37Å; E127-R129 VanDerWaalsContact C-N 3.31Å; E127-R129 PolarHBondContact O-N 3.08Å; E127-R130 PolarHBondContact O-N 3.48Å; E127-R131 WeakPolarHBondContact O-CG 3.46Å; E127-R131 PolarHBondContact O-N 3.12Å; E127-R131 VanDerWaalsContact O-N 3.13Å; E127-R131 IonicContact OE1-CZ 3.02Å; E127-R131 IonicContact OE1-NE 3.56Å; E127-R131 PolarHBondContact OE1-NE 2.72Å; E127-R131 IonicContact OE1-NH2 2.72Å; E127-R131 PolarHBondContact OE1-NH2 3.33Å |
| 128 | A | 66.1 | Low | 60.7 | Low | 29 Ų | 29 | 102 Ų | 102 | 24% | 0.24 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -62.3 | -35.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | S124 A125 F132 | S124-A128 WeakPolarHBondContact O-CB 3.18Å; S124-A128 PolarHBondContact O-N 3.42Å; A125-A128 PolarHBondContact O-N 3.23Å; A128-F132 WeakPolarHBondContact O-CD2 3.19Å |
| 129 | R | 62.3 | Low | 59.5 | Low | 66 Ų | 66 | 102.2 Ų | 102.2 | 25% | 0.249 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -67.8 | -40.6 | 173.9 | -72 | 166.2 | -178.2 | -112.2 | 9.8 | 112.4 | A125 N126 E127 R131 F132 L171 N172 R173 P174 | A125-R129 WeakPolarHBondContact O-CG 3.31Å; A125-R129 PolarHBondContact O-N 3.39Å; N126-R129 WeakPolarHBondContact O-CB 3.07Å; N126-R129 PolarHBondContact O-N 2.9Å; E127-R129 VanDerWaalsContact C-N 3.31Å; E127-R129 PolarHBondContact O-N 3.08Å; R129-R131 VanDerWaalsContact C-N 3.26Å; R129-R131 PolarHBondContact O-N 2.98Å; R129-F132 CarbonylContact O-C 3.58Å; R129-F132 VanDerWaalsContact O-C 3.31Å; R129-F132 PolarHBondContact O-N 3.12Å; R129-F132 VanDerWaalsContact O-N 3.17Å; R129-L171 PolarHBondContact NE-O 3.08Å; R129-L171 PolarHBondContact NH2-O 2.95Å; R129-L171 VanDerWaalsContact NH2-O 3.08Å; R129-N172 VanDerWaalsContact CZ-CA 3.41Å; R129-N172 VanDerWaalsContact CZ-O 3.23Å; R129-N172 VanDerWaalsContact NH1-C 3.28Å; R129-N172 PolarHBondContact NH1-O 3.03Å; R129-N172 PolarHBondContact NH2-O 3.25Å; R129-R173 VanDerWaalsContact NH2-N 3.15Å; R129-R173 PolarHBondContact NH2-O 3.13Å; R129-P174 VanDerWaalsContact NH2-N 3.13Å |
| 130 | R | 65.3 | Low | 57.6 | Low | 211 Ų | 211 | 104.5 Ų | 104.5 | 80% | 0.796 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.1 | -32.3 | 178.2 | -75.6 | -169.2 | 171.2 | -164.8 | -1.5 | 112.4 | N126 E127 F132 | N126-R130 PolarHBondContact O-N 3.44Å; E127-R130 PolarHBondContact O-N 3.48Å; R130-F132 VanDerWaalsContact C-N 3.3Å; R130-F132 PolarHBondContact O-N 3.42Å |
| 131 | R | 64.7 | Low | 55.8 | Low | 172 Ų | 172 | 111.9 Ų | 111.9 | 65% | 0.649 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -72.5 | -19.8 | 175.6 | -68.6 | -177.3 | -175.1 | -157.5 | -0.3 | 114.2 | E127 R129 | E127-R131 WeakPolarHBondContact O-CG 3.46Å; E127-R131 PolarHBondContact O-N 3.12Å; E127-R131 VanDerWaalsContact O-N 3.13Å; E127-R131 IonicContact OE1-CZ 3.02Å; E127-R131 IonicContact OE1-NE 3.56Å; E127-R131 PolarHBondContact OE1-NE 2.72Å; E127-R131 IonicContact OE1-NH2 2.72Å; E127-R131 PolarHBondContact OE1-NH2 3.33Å; R129-R131 VanDerWaalsContact C-N 3.26Å; R129-R131 PolarHBondContact O-N 2.98Å |
| 132 | F | 56.6 | Low | 54 | Low | 82 Ų | 82 | 109.5 Ų | 109.5 | 36% | 0.36 | 59% | 0.588 | S | S | . | * | trans | -133.5 | 71.4 | -177.9 | -63 | -72.8 | 0 | 0 | 0 | 111.7 | A128 R129 R130 S134 I160 L163 | A128-F132 WeakPolarHBondContact O-CD2 3.19Å; R129-F132 CarbonylContact O-C 3.58Å; R129-F132 VanDerWaalsContact O-C 3.31Å; R129-F132 PolarHBondContact O-N 3.12Å; R129-F132 VanDerWaalsContact O-N 3.17Å; R130-F132 VanDerWaalsContact C-N 3.3Å; R130-F132 PolarHBondContact O-N 3.42Å; F132-S134 PolarHBondContact O-N 3.12Å; F132-I160 HydrophobicContact CE1-CG2 3.68Å; F132-I160 HydrophobicContact CZ-CG2 4.49Å; F132-L163 HydrophobicContact CD2-CD1 4.2Å; F132-L163 HydrophobicContact CE2-CD1 4.37Å; F132-L163 HydrophobicContact CG-CD1 4.36Å | ||
| 133 | P | 50.5 | Low | 52.6 | Low | 106 Ų | 106 | 113.6 Ų | 113.6 | 69% | 0.688 | 62% | 0.617 | S | S | * | * | trans | -62.4 | 127.1 | 169.9 | 22.1 | -24.3 | 0 | 0 | 0 | 109.2 | Q135 | P133-Q135 PolarHBondContact O-N 3.35Å; P133-Q135 VanDerWaalsContact O-N 3.07Å | ||
| 134 | S | 49.9 | Very low | 51.1 | Low | 77 Ų | 77 | 120 Ų | 120 | 54% | 0.538 | 64% | 0.637 | S | S | . | * | trans | -65.3 | 110.4 | 179.2 | 59.8 | 0 | 0 | 0 | 0 | 110 | F132 D136 | F132-S134 PolarHBondContact O-N 3.12Å; S134-D136 PolarHBondContact O-N 3.45Å | ||
| 135 | Q | 43.3 | Very low | 49.7 | Very low | 188 Ų | 188 | 122.2 Ų | 122.2 | 88% | 0.879 | 65% | 0.652 | S | S | * | * | trans | -65 | 123.2 | 159.2 | -75.6 | -176.5 | -12.6 | 0 | 0 | 108.4 | P133 | P133-Q135 PolarHBondContact O-N 3.35Å; P133-Q135 VanDerWaalsContact O-N 3.07Å | ||
| 136 | D | 38 | Very low | 48.3 | Very low | 132 Ų | 132 | 131.1 Ų | 131.1 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | trans | -56.5 | 128.6 | 176.4 | -72.8 | -49.2 | 0 | 0 | 0 | 111 | S134 E138 | S134-D136 PolarHBondContact O-N 3.45Å; D136-E138 PolarHBondContact O-N 2.93Å | ||
| 137 | P | 41.2 | Very low | 47.1 | Very low | 129 Ų | 129 | 131.1 Ų | 131.1 | 84% | 0.838 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | 26.8 | -174.9 | 32.3 | -35.6 | 0 | 0 | 0 | 114.7 | ||
| 138 | E | 40 | Very low | 45.5 | Very low | 190 Ų | 190 | 130.9 Ų | 130.9 | 89% | 0.888 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | 1.6 | -176.1 | -77.9 | -159.1 | 138.1 | 0 | 0 | 116.4 | D136 | D136-E138 PolarHBondContact O-N 2.93Š|
| 139 | S | 43.1 | Very low | 44.3 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -103.9 | 5.1 | -174.8 | 62.6 | 0 | 0 | 0 | 0 | 117.1 | ||
| 140 | N | 35 | Very low | 43.1 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | trans | -128.6 | 81.9 | -175.4 | -144.2 | -4.9 | 0 | 0 | 0 | 114 | ||||
| 141 | K | 36.8 | Very low | 41.9 | Very low | 216 Ų | 216 | 131.1 Ų | 131.1 | 94% | 0.939 | 79% | 0.785 | S | S | * | * | trans | -128.7 | 93 | 161.3 | -81.2 | -172 | 178.4 | 178.3 | 0 | 109.1 | ||||
| 142 | G | 34.3 | Very low | 40.5 | Very low | 62 Ų | 62 | 126.6 Ų | 126.6 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | trans | -150.1 | 114.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 143 | P | 38.2 | Very low | 39.9 | Very low | 119 Ų | 119 | 131 Ų | 131 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | -90.7 | 140.8 | -176.2 | 34.1 | -29 | 0 | 0 | 0 | 111.8 | ||||
| 144 | Q | 37.4 | Very low | 39.2 | Very low | 196 Ų | 196 | 133 Ų | 133 | 92% | 0.916 | 82% | 0.823 | S | S | * | * | trans | 69.9 | 114.4 | 150.1 | -61.7 | -172.4 | -0.8 | 0 | 0 | 119.6 | ||||
| 145 | S | 42 | Very low | 38.7 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 87% | 0.874 | 84% | 0.836 | S | S | * | * | -146.4 | 130.1 | 122.1 | 63.9 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 146 | K | 36.9 | Very low | 38.3 | Very low | 223 Ų | 223 | 129.7 Ų | 129.7 | 97% | 0.97 | 83% | 0.833 | S | S | * | * | trans | -89 | 136.9 | 174.1 | -87.9 | -173 | 173 | -179.2 | 0 | 109 | ||||
| 147 | G | 38 | Very low | 38.1 | Very low | 80 Ų | 80 | 128.1 Ų | 128.1 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | trans | 154.5 | 111.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 148 | G | 35.8 | Very low | 37.9 | Very low | 81 Ų | 81 | 128.4 Ų | 128.4 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | cis | 111 | 83.6 | 33.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 149 | S | 40.3 | Very low | 37.7 | Very low | 130 Ų | 130 | 123.3 Ų | 123.3 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | trans | -177.5 | 141.4 | 139.7 | -149 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 150 | A | 37.9 | Very low | 38.4 | Very low | 104 Ų | 104 | 123.7 Ų | 123.7 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | -79.6 | 144.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 151 | G | 40.4 | Very low | 39.7 | Very low | 78 Ų | 78 | 124.3 Ų | 124.3 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -177.3 | 100.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 152 | G | 35.6 | Very low | 41.2 | Very low | 76 Ų | 76 | 118.7 Ų | 118.7 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | trans | -72.8 | 144.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 153 | L | 43.9 | Very low | 43 | Very low | 174 Ų | 174 | 118 Ų | 118 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | trans | -157 | 116.2 | 150.6 | -103.9 | 134.3 | 0 | 0 | 0 | 108.2 | ||||
| 154 | D | 35.9 | Very low | 45.2 | Very low | 150 Ų | 150 | 115.9 Ų | 115.9 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | -66.4 | 127.7 | 171.3 | 178.9 | 22.8 | 0 | 0 | 0 | 110 | ||||
| 155 | S | 39.4 | Very low | 47.2 | Very low | 116 Ų | 116 | 115 Ų | 115 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | -164.9 | 109.1 | 160.4 | -85.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 156 | G | 33.6 | Very low | 49.1 | Very low | 78 Ų | 78 | 117 Ų | 117 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -62.6 | 137.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 157 | S | 35 | Very low | 51.2 | Low | 100 Ų | 100 | 111.8 Ų | 111.8 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | trans | -171.6 | 105.9 | 162.1 | 176.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 158 | N | 35.7 | Very low | 53.3 | Low | 135 Ų | 135 | 110.4 Ų | 110.4 | 72% | 0.722 | 72% | 0.715 | S | S | * | * | trans | 65.6 | 83 | 154.8 | -53.6 | -35 | 0 | 0 | 0 | 118.3 | I160 | N158-I160 PolarHBondContact O-N 3.24Š| ||
| 159 | G | 37.4 | Very low | 55.4 | Low | 82 Ų | 82 | 114.2 Ų | 114.2 | 85% | 0.845 | 71% | 0.708 | S | S | * | * | trans | -63.1 | 83.6 | 156.6 | 0 | 0 | 0 | 0 | 0 | 111 | E161 | G159-E161 VanDerWaalsContact C-N 3.3Å; G159-E161 PolarHBondContact O-N 2.94Å | ||
| 160 | I | 57.5 | Low | 57.4 | Low | 121 Ų | 121 | 117.2 Ų | 117.2 | 62% | 0.621 | 70% | 0.7 | S | S | * | * | trans | -68.5 | 94 | 167.6 | -61.3 | 170.3 | 0 | 0 | 0 | 106.3 | F132 N158 A162 | F132-I160 HydrophobicContact CE1-CG2 3.68Å; F132-I160 HydrophobicContact CZ-CG2 4.49Å; N158-I160 PolarHBondContact O-N 3.24Å; I160-A162 PolarHBondContact O-N 3.17Å | ||
| 161 | E | 62.4 | Low | 59.4 | Low | 165 Ų | 165 | 114.9 Ų | 114.9 | 77% | 0.771 | 67% | 0.673 | S | S | * | * | trans | -53.6 | 108 | 167.3 | -73.3 | -173.7 | 165.9 | 0 | 0 | 108.1 | G159 L163 | G159-E161 VanDerWaalsContact C-N 3.3Å; G159-E161 PolarHBondContact O-N 2.94Å; E161-L163 PolarHBondContact O-N 2.77Å | ||
| 162 | A | 68.3 | Low | 61.4 | Low | 98 Ų | 98 | 114 Ų | 114 | 81% | 0.81 | 65% | 0.65 | S | S | * | * | trans | -55.7 | 103 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109 | I160 S164 | I160-A162 PolarHBondContact O-N 3.17Å; A162-S164 PolarHBondContact O-N 2.95Å | ||
| 163 | L | 70.9 | Confident | 63.9 | Low | 47 Ų | 47 | 115.6 Ų | 115.6 | 25% | 0.246 | 63% | 0.632 | C | S | . | * | trans | -57.8 | 130.7 | -177 | -67.1 | 166.3 | 0 | 0 | 0 | 108.9 | F132 E161 K165 K167 L171 | F132-L163 HydrophobicContact CD2-CD1 4.2Å; F132-L163 HydrophobicContact CE2-CD1 4.37Å; F132-L163 HydrophobicContact CG-CD1 4.36Å; E161-L163 PolarHBondContact O-N 2.77Å; L163-K165 PolarHBondContact O-N 2.88Å; L163-K167 HydrophobicContact CD2-CD 3.59Å; L163-K167 HydrophobicContact CD2-CG 4.17Å; L163-L171 HydrophobicContact CD1-CD1 3.95Å | ||
| 164 | S | 84.6 | Confident | 65.9 | Low | 75 Ų | 75 | 108.6 Ų | 108.6 | 52% | 0.524 | 60% | 0.597 | S | S | . | * | trans | -49.6 | 136.2 | 173.2 | 177.5 | 0 | 0 | 0 | 0 | 109.8 | A162 K166 K167 L168 | A162-S164 PolarHBondContact O-N 2.95Å; S164-K166 CarbonylContact O-C 3.58Å; S164-K166 PolarHBondContact O-N 3.45Å; S164-K167 WeakPolarHBondContact O-CA 3.42Å; S164-K167 WeakPolarHBondContact O-CB 3.48Å; S164-K167 PolarHBondContact O-N 3.32Å; S164-L168 PolarHBondContact O-N 3.48Å | ||
| 165 | K | 80.7 | Confident | 68.5 | Low | 176 Ų | 176 | 103.5 Ų | 103.5 | 77% | 0.765 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -47.2 | -32 | 177.3 | -66.7 | -177.4 | 179.2 | -179.1 | 0 | 112.7 | L163 K169 | L163-K165 PolarHBondContact O-N 2.88Å; K165-K169 WeakPolarHBondContact O-CB 3.34Å; K165-K169 VanDerWaalsContact O-CG 3.26Å; K165-K169 WeakPolarHBondContact O-CG 3.48Å; K165-K169 PolarHBondContact O-N 3.24Å; K165-K169 VanDerWaalsContact O-N 3.11Å |
| 166 | K | 80.6 | Confident | 71 | Confident | 167 Ų | 167 | 99.9 Ų | 99.9 | 73% | 0.726 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -71.3 | -39.7 | 175.2 | -67.5 | -178.2 | 179.3 | 177.6 | 0 | 113 | S164 R170 | S164-K166 CarbonylContact O-C 3.58Å; S164-K166 PolarHBondContact O-N 3.45Å; K166-R170 WeakPolarHBondContact O-CG 3.32Å; K166-R170 PolarHBondContact O-N 3.48Å; K166-R170 VanDerWaalsContact O-N 3.12Å |
| 167 | K | 82.3 | Confident | 73.8 | Confident | 114 Ų | 114 | 98.6 Ų | 98.6 | 50% | 0.496 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.8 | -43.7 | 176.1 | -171.7 | 171.7 | 174.5 | -168.9 | 0 | 110.4 | L163 S164 K169 R170 L171 | L163-K167 HydrophobicContact CD2-CD 3.59Å; L163-K167 HydrophobicContact CD2-CG 4.17Å; S164-K167 WeakPolarHBondContact O-CA 3.42Å; S164-K167 WeakPolarHBondContact O-CB 3.48Å; S164-K167 PolarHBondContact O-N 3.32Å; K167-K169 PolarHBondContact O-N 3.34Å; K167-R170 PolarHBondContact O-N 2.86Å; K167-R170 VanDerWaalsContact O-N 3.12Å; K167-L171 HydrophobicContact CG-CD1 4.38Å; K167-L171 WeakPolarHBondContact O-CG 3.26Å; K167-L171 PolarHBondContact O-N 2.87Å |
| 168 | L | 82 | Confident | 76.5 | Confident | 51 Ų | 51 | 94.6 Ų | 94.6 | 27% | 0.267 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.7 | -46.2 | 174.4 | -172.8 | 64.8 | 0 | 0 | 0 | 111.9 | S164 R170 L171 N172 | S164-L168 PolarHBondContact O-N 3.48Å; L168-R170 VanDerWaalsContact C-N 3.3Å; L168-R170 PolarHBondContact O-N 2.88Å; L168-L171 PolarHBondContact O-N 3.44Å; L168-N172 WeakPolarHBondContact O-CB 3.45Å; L168-N172 PolarHBondContact O-N 3.41Å |
| 169 | K | 79.8 | Confident | 79.1 | Confident | 161 Ų | 161 | 88.2 Ų | 88.2 | 70% | 0.7 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.2 | -33.6 | 175.2 | -75.7 | -179.6 | -179.4 | -168.4 | 0 | 113.7 | K165 K167 R173 | K165-K169 WeakPolarHBondContact O-CB 3.34Å; K165-K169 VanDerWaalsContact O-CG 3.26Å; K165-K169 WeakPolarHBondContact O-CG 3.48Å; K165-K169 PolarHBondContact O-N 3.24Å; K165-K169 VanDerWaalsContact O-N 3.11Å; K167-K169 PolarHBondContact O-N 3.34Å; K169-R173 PolarHBondContact O-N 3.37Å |
| 170 | R | 81.1 | Confident | 81.9 | Confident | 194 Ų | 194 | 87.9 Ų | 87.9 | 73% | 0.732 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -73 | -36.3 | 176 | -77.6 | 179.4 | 179.9 | -175.2 | -1.4 | 112.4 | K166 K167 L168 N172 R173 | K166-R170 WeakPolarHBondContact O-CG 3.32Å; K166-R170 PolarHBondContact O-N 3.48Å; K166-R170 VanDerWaalsContact O-N 3.12Å; K167-R170 PolarHBondContact O-N 2.86Å; K167-R170 VanDerWaalsContact O-N 3.12Å; L168-R170 VanDerWaalsContact C-N 3.3Å; L168-R170 PolarHBondContact O-N 2.88Å; R170-N172 VanDerWaalsContact C-N 3.32Å; R170-R173 WeakPolarHBondContact O-CB 3.31Å; R170-R173 PolarHBondContact O-N 3.36Å |
| 171 | L | 79.3 | Confident | 83.5 | Confident | 54 Ų | 54 | 89 Ų | 89 | 28% | 0.283 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -68.7 | -34.8 | 173.7 | -67.8 | 170 | 0 | 0 | 0 | 111.1 | R129 L163 K167 L168 R173 | R129-L171 PolarHBondContact NE-O 3.08Å; R129-L171 PolarHBondContact NH2-O 2.95Å; R129-L171 VanDerWaalsContact NH2-O 3.08Å; L163-L171 HydrophobicContact CD1-CD1 3.95Å; K167-L171 HydrophobicContact CG-CD1 4.38Å; K167-L171 WeakPolarHBondContact O-CG 3.26Å; K167-L171 PolarHBondContact O-N 2.87Å; L168-L171 PolarHBondContact O-N 3.44Å; L171-R173 VanDerWaalsContact C-N 3.27Å; L171-R173 PolarHBondContact O-N 3.4Å |
| 172 | N | 83.5 | Confident | 84.8 | Confident | 60 Ų | 60 | 87.2 Ų | 87.2 | 32% | 0.321 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -1.5 | 178.9 | -70.5 | -1.6 | 0 | 0 | 0 | 114.9 | R129 L168 R170 | R129-N172 VanDerWaalsContact CZ-CA 3.41Å; R129-N172 VanDerWaalsContact CZ-O 3.23Å; R129-N172 VanDerWaalsContact NH1-C 3.28Å; R129-N172 PolarHBondContact NH1-O 3.03Å; R129-N172 PolarHBondContact NH2-O 3.25Å; L168-N172 WeakPolarHBondContact O-CB 3.45Å; L168-N172 PolarHBondContact O-N 3.41Å; R170-N172 VanDerWaalsContact C-N 3.32Å |
| 173 | R | 87.4 | Confident | 85.9 | Confident | 110 Ų | 110 | 83.7 Ų | 83.7 | 42% | 0.415 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -81.3 | 116.3 | 176.7 | 169.6 | 172.1 | -76.9 | -178.2 | 4.3 | 111.4 | R129 K169 R170 L171 V194 C195 | R129-R173 VanDerWaalsContact NH2-N 3.15Å; R129-R173 PolarHBondContact NH2-O 3.13Å; K169-R173 PolarHBondContact O-N 3.37Å; R170-R173 WeakPolarHBondContact O-CB 3.31Å; R170-R173 PolarHBondContact O-N 3.36Å; L171-R173 VanDerWaalsContact C-N 3.27Å; L171-R173 PolarHBondContact O-N 3.4Å; R173-V194 VanDerWaalsContact CD-CG1 3.48Å; R173-V194 HydrophobicContact CG-CB 4.49Å; R173-V194 HydrophobicContact CG-CG1 3.15Å; R173-V194 VanDerWaalsContact CG-O 3.28Å; R173-V194 WeakPolarHBondContact CG-O 3.33Å; R173-V194 PolarHBondContact NE-O 3.45Å; R173-C195 VanDerWaalsContact CZ-CA 3.49Å; R173-C195 PolarHBondContact NH1-SG 3.21Å; R173-C195 PolarHBondContact NH2-SG 3.04Å; R173-C195 VanDerWaalsContact NH2-SG 3.41Å |
| 174 | P | 87.4 | Confident | 86.9 | Confident | 26 Ų | 26 | 86.5 Ų | 86.5 | 17% | 0.169 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 157.4 | -178.2 | 27.4 | -33.8 | 0 | 0 | 0 | 111.2 | R129 A178 V194 P199 | R129-P174 VanDerWaalsContact NH2-N 3.13Å; P174-A178 HydrophobicContact CB-CB 4.33Å; P174-V194 WeakPolarHBondContact O-CG1 3.35Å; P174-P199 HydrophobicContact CG-CB 4.31Å; P174-P199 HydrophobicContact CG-CG 3.8Å |
| 175 | S | 90.4 | Very high | 87.2 | Confident | 44 Ų | 44 | 89.2 Ų | 89.2 | 31% | 0.308 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 160.9 | 169.1 | 77.8 | 0 | 0 | 0 | 0 | 109.7 | E122 A177 A178 L179 | E122-S175 VanDerWaalsContact CD-OG 3.29Å; E122-S175 PolarHBondContact OE2-OG 3.43Å; S175-A177 PolarHBondContact O-N 3.1Å; S175-A177 PolarHBondContact OG-N 3.24Å; S175-A178 PolarHBondContact O-N 3.4Å; S175-A178 VanDerWaalsContact OG-CB 3.31Å; S175-A178 WeakPolarHBondContact OG-CB 3.42Å; S175-A178 PolarHBondContact OG-N 2.96Å; S175-L179 PolarHBondContact O-N 2.96Å |
| 176 | V | 91.4 | Very high | 87.8 | Confident | 39 Ų | 39 | 83.6 Ų | 83.6 | 24% | 0.236 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -62.3 | -35.9 | 174.3 | 178.8 | 0 | 0 | 0 | 0 | 110.2 | L179 K180 I189 M191 V194 | V176-L179 PolarHBondContact O-N 3Å; V176-K180 HydrophobicContact CG1-CD 4.24Å; V176-K180 WeakPolarHBondContact O-CG 3.21Å; V176-K180 PolarHBondContact O-N 3.2Å; V176-I189 HydrophobicContact CG1-CG2 4.39Å; V176-M191 HydrophobicContact CG2-SD 4.09Å; V176-V194 HydrophobicContact CB-CG2 4.16Å; V176-V194 HydrophobicContact CG2-CB 4.45Å; V176-V194 HydrophobicContact CG2-CG2 3.53Å |
| 177 | A | 91.9 | Very high | 88.4 | Confident | 52 Ų | 52 | 80.4 Ų | 80.4 | 43% | 0.43 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.3 | -47.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S175 L179 K180 Q181 | S175-A177 PolarHBondContact O-N 3.1Å; S175-A177 PolarHBondContact OG-N 3.24Å; A177-L179 VanDerWaalsContact C-N 3.29Å; A177-L179 PolarHBondContact O-N 2.93Å; A177-K180 PolarHBondContact O-N 3.07Å; A177-Q181 WeakPolarHBondContact O-CG 3.42Å; A177-Q181 PolarHBondContact O-N 3.29Å |
| 178 | A | 90.9 | Very high | 88.9 | Confident | 16 Ų | 16 | 76.7 Ų | 76.7 | 13% | 0.132 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -55.4 | -46 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E122 P174 S175 K180 Q181 M182 | E122-A178 WeakPolarHBondContact OE1-CB 3.14Å; P174-A178 HydrophobicContact CB-CB 4.33Å; S175-A178 PolarHBondContact O-N 3.4Å; S175-A178 VanDerWaalsContact OG-CB 3.31Å; S175-A178 WeakPolarHBondContact OG-CB 3.42Å; S175-A178 PolarHBondContact OG-N 2.96Å; A178-K180 PolarHBondContact O-N 2.98Å; A178-Q181 PolarHBondContact O-N 3.14Å; A178-M182 WeakPolarHBondContact O-CG 3.28Å; A178-M182 PolarHBondContact O-N 3.23Å |
| 179 | L | 92 | Very high | 89.5 | Confident | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.7 | -40.2 | -179.3 | -170.5 | 60 | 0 | 0 | 0 | 112 | S175 V176 A177 Q181 M182 V183 I189 D193 V194 P199 L200 | S175-L179 PolarHBondContact O-N 2.96Å; V176-L179 PolarHBondContact O-N 3Å; A177-L179 VanDerWaalsContact C-N 3.29Å; A177-L179 PolarHBondContact O-N 2.93Å; L179-Q181 VanDerWaalsContact C-N 3.31Å; L179-Q181 PolarHBondContact O-N 3.26Å; L179-M182 PolarHBondContact O-N 2.92Å; L179-V183 HydrophobicContact CD1-CG2 4.31Å; L179-V183 VanDerWaalsContact O-CG2 3.29Å; L179-V183 WeakPolarHBondContact O-CG2 2.91Å; L179-V183 PolarHBondContact O-N 3.3Å; L179-I189 HydrophobicContact CD2-CG2 3.92Å; L179-I189 HydrophobicContact CG-CD1 4.09Å; L179-I189 HydrophobicContact CG-CG2 4.32Å; L179-D193 HydrophobicContact CD2-CB 4.17Å; L179-V194 HydrophobicContact CD2-CG2 4.27Å; L179-P199 HydrophobicContact CD1-CB 3.93Å; L179-P199 HydrophobicContact CD1-CG 4.49Å; L179-P199 HydrophobicContact CD2-CB 3.91Å; L179-L200 HydrophobicContact CD1-CD2 3.8Å |
| 180 | K | 95 | Very high | 90.1 | Very high | 75 Ų | 75 | 71.1 Ų | 71.1 | 33% | 0.326 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.7 | -32.6 | 174.9 | -75.9 | 179.2 | -176.1 | -80.6 | 0 | 112.6 | V176 A177 A178 P186 I189 | V176-K180 HydrophobicContact CG1-CD 4.24Å; V176-K180 WeakPolarHBondContact O-CG 3.21Å; V176-K180 PolarHBondContact O-N 3.2Å; A177-K180 PolarHBondContact O-N 3.07Å; A178-K180 PolarHBondContact O-N 2.98Å; K180-P186 HydrophobicContact CB-CB 3.91Å; K180-P186 HydrophobicContact CG-CB 4.05Å; K180-P186 PolarHBondContact NZ-O 3.42Å; K180-I189 HydrophobicContact CB-CD1 4.37Å; K180-I189 HydrophobicContact CG-CB 4.06Å; K180-I189 HydrophobicContact CG-CD1 3.84Å; K180-I189 HydrophobicContact CG-CG2 4.15Å; K180-I189 PolarHBondContact NZ-O 3.31Å |
| 181 | Q | 92.3 | Very high | 90.5 | Very high | 146 Ų | 146 | 68.3 Ų | 68.3 | 68% | 0.682 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -71.8 | -30.1 | 176.2 | -71.4 | 176.1 | 7.4 | 0 | 0 | 113.2 | A177 A178 L179 | A177-Q181 WeakPolarHBondContact O-CG 3.42Å; A177-Q181 PolarHBondContact O-N 3.29Å; A178-Q181 PolarHBondContact O-N 3.14Å; L179-Q181 VanDerWaalsContact C-N 3.31Å; L179-Q181 PolarHBondContact O-N 3.26Å |
| 182 | M | 89.1 | Confident | 91.1 | Very high | 127 Ų | 127 | 70.6 Ų | 70.6 | 63% | 0.626 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -83 | -16.9 | -177.3 | -67.2 | 179.3 | 75.5 | 0 | 0 | 114.2 | A178 L179 L200 | A178-M182 WeakPolarHBondContact O-CG 3.28Å; A178-M182 PolarHBondContact O-N 3.23Å; L179-M182 PolarHBondContact O-N 2.92Å; M182-L200 HydrophobicContact CB-CD2 3.97Å; M182-L200 HydrophobicContact CE-CD1 3.81Å; M182-L200 HydrophobicContact CE-CD2 3.88Å; M182-L200 HydrophobicContact CE-CG 4.45Å; M182-L200 HydrophobicContact SD-CD2 4.12Å |
| 183 | V | 91.1 | Very high | 91.6 | Very high | 23 Ų | 23 | 67.9 Ų | 67.9 | 14% | 0.139 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -108.8 | 136.9 | -169.4 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | L179 R185 I189 L200 A203 | L179-V183 HydrophobicContact CD1-CG2 4.31Å; L179-V183 VanDerWaalsContact O-CG2 3.29Å; L179-V183 WeakPolarHBondContact O-CG2 2.91Å; L179-V183 PolarHBondContact O-N 3.3Å; V183-R185 VanDerWaalsContact C-N 3.3Å; V183-R185 WeakPolarHBondContact CG1-O 3.49Å; V183-R185 PolarHBondContact O-N 3.5Å; V183-I189 HydrophobicContact CB-CD1 3.85Å; V183-I189 HydrophobicContact CG1-CD1 4.17Å; V183-I189 HydrophobicContact CG2-CD1 3.95Å; V183-L200 HydrophobicContact CG2-CD2 4.44Å; V183-A203 HydrophobicContact CB-CB 4.46Å; V183-A203 HydrophobicContact CG1-CB 4.05Å; V183-A203 HydrophobicContact CG2-CB 3.57Å |
| 184 | A | 91.3 | Very high | 91.8 | Very high | 107 Ų | 107 | 63.2 Ų | 63.2 | 88% | 0.884 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -62.4 | -33.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | P186 | A184-P186 WeakPolarHBondContact O-CD 3.45Š|
| 185 | R | 91.8 | Very high | 91.9 | Very high | 132 Ų | 132 | 65.1 Ų | 65.1 | 50% | 0.498 | 35% | 0.353 | S | S | . | . | trans | -114.2 | 88.2 | 176.7 | -73.9 | -164.2 | 69.1 | 144.7 | 3.7 | 110.6 | V183 D187 V188 A207 | V183-R185 VanDerWaalsContact C-N 3.3Å; V183-R185 WeakPolarHBondContact CG1-O 3.49Å; V183-R185 PolarHBondContact O-N 3.5Å; R185-D187 VanDerWaalsContact C-N 3.29Å; R185-D187 WeakPolarHBondContact CB-OD1 3.4Å; R185-D187 IonicContact CZ-OD2 2.74Å; R185-D187 IonicContact NE-OD1 3.8Å; R185-D187 IonicContact NE-OD2 3.25Å; R185-D187 IonicContact NH2-OD2 3.3Å; R185-D187 PolarHBondContact NH2-OD2 3.45Å; R185-D187 PolarHBondContact O-N 3.27Å; R185-V188 WeakPolarHBondContact O-CG2 2.83Å; R185-A207 HydrophobicContact CB-CB 3.91Å; R185-A207 HydrophobicContact CG-CB 4.43Å | ||
| 186 | P | 93.7 | Very high | 91.9 | Very high | 58 Ų | 58 | 64.6 Ų | 64.6 | 38% | 0.377 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -77.8 | -10.9 | -176.6 | 29.6 | -35.5 | 0 | 0 | 0 | 114.3 | K180 A184 | K180-P186 HydrophobicContact CB-CB 3.91Å; K180-P186 HydrophobicContact CG-CB 4.05Å; K180-P186 PolarHBondContact NZ-O 3.42Å; A184-P186 WeakPolarHBondContact O-CD 3.45Å |
| 187 | D | 93.2 | Very high | 91.9 | Very high | 99 Ų | 99 | 73.3 Ų | 73.3 | 53% | 0.529 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -62.6 | -39.7 | 178.5 | 56.6 | -29.3 | 0 | 0 | 0 | 112.6 | R185 I189 | R185-D187 VanDerWaalsContact C-N 3.29Å; R185-D187 WeakPolarHBondContact CB-OD1 3.4Å; R185-D187 IonicContact CZ-OD2 2.74Å; R185-D187 IonicContact NE-OD1 3.8Å; R185-D187 IonicContact NE-OD2 3.25Å; R185-D187 IonicContact NH2-OD2 3.3Å; R185-D187 PolarHBondContact NH2-OD2 3.45Å; R185-D187 PolarHBondContact O-N 3.27Å; D187-I189 VanDerWaalsContact C-N 3.27Å; D187-I189 PolarHBondContact O-N 3.3Å |
| 188 | V | 92.8 | Very high | 91.8 | Very high | 36 Ų | 36 | 74.6 Ų | 74.6 | 22% | 0.218 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -77.4 | -7.8 | -175.7 | -58.4 | 0 | 0 | 0 | 0 | 114.9 | R185 K206 A207 | R185-V188 WeakPolarHBondContact O-CG2 2.83Å; V188-K206 HydrophobicContact CB-CB 4.23Å; V188-K206 HydrophobicContact CG2-CB 3.98Å; V188-A207 HydrophobicContact CG2-CB 4.15Å |
| 189 | I | 93.4 | Very high | 91.9 | Very high | 6 Ų | 6 | 74.9 Ų | 74.9 | 3% | 0.031 | 39% | 0.386 | C | S | . | . | trans | -84 | 122.2 | -174.4 | -63.3 | 165.7 | 0 | 0 | 0 | 110.5 | V176 L179 K180 V183 D187 D193 A203 | V176-I189 HydrophobicContact CG1-CG2 4.39Å; L179-I189 HydrophobicContact CD2-CG2 3.92Å; L179-I189 HydrophobicContact CG-CD1 4.09Å; L179-I189 HydrophobicContact CG-CG2 4.32Å; K180-I189 HydrophobicContact CB-CD1 4.37Å; K180-I189 HydrophobicContact CG-CB 4.06Å; K180-I189 HydrophobicContact CG-CD1 3.84Å; K180-I189 HydrophobicContact CG-CG2 4.15Å; K180-I189 PolarHBondContact NZ-O 3.31Å; V183-I189 HydrophobicContact CB-CD1 3.85Å; V183-I189 HydrophobicContact CG1-CD1 4.17Å; V183-I189 HydrophobicContact CG2-CD1 3.95Å; D187-I189 VanDerWaalsContact C-N 3.27Å; D187-I189 PolarHBondContact O-N 3.3Å; I189-D193 WeakPolarHBondContact CA-OD2 3.48Å; I189-D193 HydrophobicContact CG2-CB 4.39Å; I189-A203 HydrophobicContact CG1-CB 4.39Å | ||
| 190 | E | 92.6 | Very high | 91.8 | Very high | 89 Ų | 89 | 78.6 Ų | 78.6 | 42% | 0.416 | 41% | 0.406 | S | S | . | . | trans | -105.1 | 162.9 | -178.6 | -65.2 | -73 | -174.7 | 0 | 0 | 112 | W192 D193 | E190-W192 HydrophobicContact CB-CD2 3.9Å; E190-W192 VanDerWaalsContact CB-CE2 3.43Å; E190-W192 HydrophobicContact CB-CE3 4.42Å; E190-W192 HydrophobicContact CB-CG 4.39Å; E190-W192 HydrophobicContact CB-CH2 4.14Å; E190-W192 HydrophobicContact CB-CZ2 3.59Å; E190-W192 HydrophobicContact CG-CH2 4.15Å; E190-W192 HydrophobicContact CG-CZ2 3.55Å; E190-W192 PolarHBondContact O-N 3.46Å; E190-W192 VanDerWaalsContact O-N 3.11Å; E190-D193 PolarHBondContact N-OD2 3.23Å; E190-D193 WeakPolarHBondContact O-CB 3.22Å; E190-D193 PolarHBondContact O-N 3.12Å; E190-D193 VanDerWaalsContact O-N 3.09Å | ||
| 191 | M | 91 | Very high | 91.7 | Very high | 135 Ų | 135 | 79.3 Ų | 79.3 | 67% | 0.665 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -33.5 | -178.8 | -176.9 | 66.9 | 69.8 | 0 | 0 | 113.6 | V176 | V176-M191 HydrophobicContact CG2-SD 4.09Š|
| 192 | W | 91.8 | Very high | 91.8 | Very high | 103 Ų | 103 | 75 Ų | 75 | 39% | 0.39 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -9.5 | -177.1 | 50.4 | 78 | 0 | 0 | 0 | 114.3 | E190 V194 C195 W218 | E190-W192 HydrophobicContact CB-CD2 3.9Å; E190-W192 VanDerWaalsContact CB-CE2 3.43Å; E190-W192 HydrophobicContact CB-CE3 4.42Å; E190-W192 HydrophobicContact CB-CG 4.39Å; E190-W192 HydrophobicContact CB-CH2 4.14Å; E190-W192 HydrophobicContact CB-CZ2 3.59Å; E190-W192 HydrophobicContact CG-CH2 4.15Å; E190-W192 HydrophobicContact CG-CZ2 3.55Å; E190-W192 PolarHBondContact O-N 3.46Å; E190-W192 VanDerWaalsContact O-N 3.11Å; W192-V194 VanDerWaalsContact C-N 3.28Å; W192-V194 PolarHBondContact O-N 2.93Å; W192-C195 WeakPolarHBondContact O-CA 3.45Å; W192-C195 WeakPolarHBondContact O-CB 3.43Å; W192-C195 PolarHBondContact O-N 3.19Å; W192-W218 HydrophobicContact CB-CH2 4.27Å; W192-W218 HydrophobicContact CB-CZ2 4.45Å; W192-W218 AromaticContact CD1-CZ2 3.82Å; W192-W218 HydrophobicContact CD2-CH2 4.21Å; W192-W218 AromaticContact CD2-CZ2 3.55Å; W192-W218 HydrophobicContact CD2-CZ2 3.55Å; W192-W218 AromaticContact CE2-CZ2 3.6Å; W192-W218 HydrophobicContact CE3-CZ2 4.1Å; W192-W218 AromaticContact CG-CH2 3.97Å; W192-W218 HydrophobicContact CG-CH2 3.97Å; W192-W218 AromaticContact CG-CZ2 3.69Å; W192-W218 HydrophobicContact CG-CZ2 3.69Å; W192-W218 HydrophobicContact CZ2-CZ2 4.18Å; W192-W218 AromaticContact NE1-CZ2 3.73Å |
| 193 | D | 94.1 | Very high | 92 | Very high | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.011 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -69.9 | -31.1 | -176 | -66.3 | -21.3 | 0 | 0 | 0 | 112.5 | L179 I189 E190 C195 A196 L202 K206 | L179-D193 HydrophobicContact CD2-CB 4.17Å; I189-D193 WeakPolarHBondContact CA-OD2 3.48Å; I189-D193 HydrophobicContact CG2-CB 4.39Å; E190-D193 PolarHBondContact N-OD2 3.23Å; E190-D193 WeakPolarHBondContact O-CB 3.22Å; E190-D193 PolarHBondContact O-N 3.12Å; E190-D193 VanDerWaalsContact O-N 3.09Å; D193-C195 PolarHBondContact O-N 3.36Å; D193-C195 VanDerWaalsContact O-N 3.07Å; D193-A196 WeakPolarHBondContact O-CB 3.45Å; D193-A196 PolarHBondContact O-N 3.08Å; D193-L202 HydrophobicContact CB-CD2 4.19Å; D193-K206 VanDerWaalsContact OD1-CE 3.3Å; D193-K206 WeakPolarHBondContact OD1-CE 3.19Å; D193-K206 IonicContact OD1-NZ 2.93Å; D193-K206 PolarHBondContact OD1-NZ 3.4Å; D193-K206 IonicContact OD2-NZ 2.88Å; D193-K206 PolarHBondContact OD2-NZ 2.96Å |
| 194 | V | 91.3 | Very high | 92.1 | Very high | 13 Ų | 13 | 73.8 Ų | 73.8 | 8% | 0.079 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -53.8 | -26.3 | 167.3 | 165.1 | 0 | 0 | 0 | 0 | 111.9 | R173 P174 V176 L179 W192 | R173-V194 VanDerWaalsContact CD-CG1 3.48Å; R173-V194 HydrophobicContact CG-CB 4.49Å; R173-V194 HydrophobicContact CG-CG1 3.15Å; R173-V194 VanDerWaalsContact CG-O 3.28Å; R173-V194 WeakPolarHBondContact CG-O 3.33Å; R173-V194 PolarHBondContact NE-O 3.45Å; P174-V194 WeakPolarHBondContact O-CG1 3.35Å; V176-V194 HydrophobicContact CB-CG2 4.16Å; V176-V194 HydrophobicContact CG2-CB 4.45Å; V176-V194 HydrophobicContact CG2-CG2 3.53Å; L179-V194 HydrophobicContact CD2-CG2 4.27Å; W192-V194 VanDerWaalsContact C-N 3.28Å; W192-V194 PolarHBondContact O-N 2.93Å |
| 195 | C | 89.6 | Confident | 92.3 | Very high | 65 Ų | 65 | 73.2 Ų | 73.2 | 44% | 0.439 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -83.9 | -6.9 | 179.4 | -57.3 | 0 | 0 | 0 | 0 | 115.3 | R173 W192 D193 | R173-C195 VanDerWaalsContact CZ-CA 3.49Å; R173-C195 PolarHBondContact NH1-SG 3.21Å; R173-C195 PolarHBondContact NH2-SG 3.04Å; R173-C195 VanDerWaalsContact NH2-SG 3.41Å; W192-C195 WeakPolarHBondContact O-CA 3.45Å; W192-C195 WeakPolarHBondContact O-CB 3.43Å; W192-C195 PolarHBondContact O-N 3.19Å; D193-C195 PolarHBondContact O-N 3.36Å; D193-C195 VanDerWaalsContact O-N 3.07Å |
| 196 | A | 90.5 | Very high | 92.4 | Very high | 34 Ų | 34 | 69.5 Ų | 69.5 | 28% | 0.281 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -64.4 | 158.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D193 D198 L202 | D193-A196 WeakPolarHBondContact O-CB 3.45Å; D193-A196 PolarHBondContact O-N 3.08Å; A196-D198 VanDerWaalsContact C-N 3.29Å; A196-L202 HydrophobicContact CB-CB 4.45Å; A196-L202 HydrophobicContact CB-CD2 3.66Å |
| 197 | K | 89.5 | Confident | 92.4 | Very high | 222 Ų | 222 | 68.1 Ų | 68.1 | 97% | 0.965 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -65 | -39.4 | 172.7 | -68.3 | -179.8 | -177.4 | 174.7 | 0 | 111.1 | ||
| 198 | D | 91.4 | Very high | 92.4 | Very high | 79 Ų | 79 | 70.3 Ų | 70.3 | 42% | 0.422 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -131.7 | 98.3 | 174.9 | -173.4 | -16.5 | 0 | 0 | 0 | 108.4 | A196 L200 L201 L202 | A196-D198 VanDerWaalsContact C-N 3.29Å; D198-L200 PolarHBondContact OD1-N 2.9Å; D198-L201 HydrophobicContact CB-CB 4.18Å; D198-L201 VanDerWaalsContact CG-CB 3.46Å; D198-L201 PolarHBondContact OD1-N 3.04Å; D198-L201 VanDerWaalsContact OD1-N 3.12Å; D198-L201 WeakPolarHBondContact OD2-CB 3.49Å; D198-L202 WeakPolarHBondContact O-CB 3.48Å; D198-L202 PolarHBondContact O-N 3.26Å |
| 199 | P | 92 | Very high | 92.5 | Very high | 21 Ų | 21 | 78.1 Ų | 78.1 | 14% | 0.136 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -73.6 | -27.7 | -176.7 | 28.5 | -33.3 | 0 | 0 | 0 | 113.1 | P174 L179 A203 | P174-P199 HydrophobicContact CG-CB 4.31Å; P174-P199 HydrophobicContact CG-CG 3.8Å; L179-P199 HydrophobicContact CD1-CB 3.93Å; L179-P199 HydrophobicContact CD1-CG 4.49Å; L179-P199 HydrophobicContact CD2-CB 3.91Å; P199-A203 WeakPolarHBondContact O-CB 3.29Å; P199-A203 PolarHBondContact O-N 3.07Å |
| 200 | L | 90.7 | Very high | 92.4 | Very high | 78 Ų | 78 | 82.6 Ų | 82.6 | 41% | 0.408 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -75.5 | -45.8 | -178.6 | -67.6 | 173.8 | 0 | 0 | 0 | 111 | L179 M182 V183 D198 L202 A203 F204 | L179-L200 HydrophobicContact CD1-CD2 3.8Å; M182-L200 HydrophobicContact CB-CD2 3.97Å; M182-L200 HydrophobicContact CE-CD1 3.81Å; M182-L200 HydrophobicContact CE-CD2 3.88Å; M182-L200 HydrophobicContact CE-CG 4.45Å; M182-L200 HydrophobicContact SD-CD2 4.12Å; V183-L200 HydrophobicContact CG2-CD2 4.44Å; D198-L200 PolarHBondContact OD1-N 2.9Å; L200-L202 VanDerWaalsContact C-N 3.32Å; L200-L202 PolarHBondContact O-N 2.99Å; L200-A203 PolarHBondContact O-N 3.24Å; L200-F204 PolarHBondContact O-N 2.88Å |
| 201 | L | 93.1 | Very high | 92.5 | Very high | 91 Ų | 91 | 81.7 Ų | 81.7 | 48% | 0.476 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62 | -41.6 | 174.7 | 178.2 | 62.1 | 0 | 0 | 0 | 111.5 | D198 A203 F204 L205 | D198-L201 HydrophobicContact CB-CB 4.18Å; D198-L201 VanDerWaalsContact CG-CB 3.46Å; D198-L201 PolarHBondContact OD1-N 3.04Å; D198-L201 VanDerWaalsContact OD1-N 3.12Å; D198-L201 WeakPolarHBondContact OD2-CB 3.49Å; L201-A203 VanDerWaalsContact C-N 3.33Å; L201-A203 PolarHBondContact O-N 3.34Å; L201-F204 WeakPolarHBondContact O-CB 3.46Å; L201-F204 PolarHBondContact O-N 3.39Å; L201-L205 HydrophobicContact CD1-CD1 4.45Å; L201-L205 HydrophobicContact CD1-CG 4.36Å; L201-L205 HydrophobicContact CG-CD1 4.25Å; L201-L205 WeakPolarHBondContact O-CG 3.46Å; L201-L205 PolarHBondContact O-N 3.23Å |
| 202 | L | 93.5 | Very high | 92.6 | Very high | 55 Ų | 55 | 78 Ų | 78 | 29% | 0.288 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 176.5 | 178.3 | 62.7 | 0 | 0 | 0 | 111.3 | D193 A196 D198 L200 F204 L205 K206 | D193-L202 HydrophobicContact CB-CD2 4.19Å; A196-L202 HydrophobicContact CB-CB 4.45Å; A196-L202 HydrophobicContact CB-CD2 3.66Å; D198-L202 WeakPolarHBondContact O-CB 3.48Å; D198-L202 PolarHBondContact O-N 3.26Å; L200-L202 VanDerWaalsContact C-N 3.32Å; L200-L202 PolarHBondContact O-N 2.99Å; L202-F204 VanDerWaalsContact C-N 3.32Å; L202-F204 PolarHBondContact O-N 3.09Å; L202-L205 PolarHBondContact O-N 2.82Å; L202-K206 HydrophobicContact CD1-CG 4.3Å; L202-K206 HydrophobicContact CG-CD 4.47Å; L202-K206 WeakPolarHBondContact O-CB 3.29Å; L202-K206 WeakPolarHBondContact O-CG 3.3Å; L202-K206 PolarHBondContact O-N 3.38Å |
| 203 | A | 93.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 77.5 Ų | 77.5 | 1% | 0.008 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.7 | -40 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V183 I189 P199 L200 L201 K206 A207 | V183-A203 HydrophobicContact CB-CB 4.46Å; V183-A203 HydrophobicContact CG1-CB 4.05Å; V183-A203 HydrophobicContact CG2-CB 3.57Å; I189-A203 HydrophobicContact CG1-CB 4.39Å; P199-A203 WeakPolarHBondContact O-CB 3.29Å; P199-A203 PolarHBondContact O-N 3.07Å; L200-A203 PolarHBondContact O-N 3.24Å; L201-A203 VanDerWaalsContact C-N 3.33Å; L201-A203 PolarHBondContact O-N 3.34Å; A203-K206 PolarHBondContact O-N 3.44Å; A203-A207 VanDerWaalsContact O-CB 3.25Å; A203-A207 WeakPolarHBondContact O-CB 3.36Å; A203-A207 PolarHBondContact O-N 2.92Å |
| 204 | F | 93.8 | Very high | 92.7 | Very high | 124 Ų | 124 | 82.4 Ų | 82.4 | 54% | 0.544 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 173.4 | 179.8 | -99.1 | 0 | 0 | 0 | 112.2 | L200 L201 L202 K206 A207 Y208 | L200-F204 PolarHBondContact O-N 2.88Å; L201-F204 WeakPolarHBondContact O-CB 3.46Å; L201-F204 PolarHBondContact O-N 3.39Å; L202-F204 VanDerWaalsContact C-N 3.32Å; L202-F204 PolarHBondContact O-N 3.09Å; F204-K206 PolarHBondContact O-N 2.97Å; F204-A207 CarbonylContact O-C 3.55Å; F204-A207 PolarHBondContact O-N 3.4Å; F204-Y208 AromaticContact CE1-CD2 3.99Å; F204-Y208 HydrophobicContact CE1-CD2 3.99Å; F204-Y208 HydrophobicContact CE1-CE2 4.37Å; F204-Y208 HydrophobicContact CZ-CD2 4.01Å; F204-Y208 HydrophobicContact CZ-CE2 4.23Å; F204-Y208 PolarHBondContact O-N 3.18Å |
| 205 | L | 94.2 | Very high | 92.8 | Very high | 95 Ų | 95 | 84.2 Ų | 84.2 | 50% | 0.497 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66.4 | -36.2 | 179.1 | -69.2 | 175.1 | 0 | 0 | 0 | 112.9 | L201 L202 A207 Y208 T211 | L201-L205 HydrophobicContact CD1-CD1 4.45Å; L201-L205 HydrophobicContact CD1-CG 4.36Å; L201-L205 HydrophobicContact CG-CD1 4.25Å; L201-L205 WeakPolarHBondContact O-CG 3.46Å; L201-L205 PolarHBondContact O-N 3.23Å; L202-L205 PolarHBondContact O-N 2.82Å; L205-A207 VanDerWaalsContact C-N 3.34Å; L205-Y208 WeakPolarHBondContact O-CB 3.44Å; L205-Y208 PolarHBondContact O-N 2.8Å; L205-T211 PolarHBondContact O-OG1 2.89Å |
| 206 | K | 94.4 | Very high | 92.8 | Very high | 53 Ų | 53 | 89.2 Ų | 89.2 | 23% | 0.23 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -69.6 | -30.8 | 173.6 | -76.7 | -170.9 | 177 | -165 | 0 | 113.1 | V188 D193 L202 A203 F204 T211 | V188-K206 HydrophobicContact CB-CB 4.23Å; V188-K206 HydrophobicContact CG2-CB 3.98Å; D193-K206 VanDerWaalsContact OD1-CE 3.3Å; D193-K206 WeakPolarHBondContact OD1-CE 3.19Å; D193-K206 IonicContact OD1-NZ 2.93Å; D193-K206 PolarHBondContact OD1-NZ 3.4Å; D193-K206 IonicContact OD2-NZ 2.88Å; D193-K206 PolarHBondContact OD2-NZ 2.96Å; L202-K206 HydrophobicContact CD1-CG 4.3Å; L202-K206 HydrophobicContact CG-CD 4.47Å; L202-K206 WeakPolarHBondContact O-CB 3.29Å; L202-K206 WeakPolarHBondContact O-CG 3.3Å; L202-K206 PolarHBondContact O-N 3.38Å; A203-K206 PolarHBondContact O-N 3.44Å; F204-K206 PolarHBondContact O-N 2.97Å; K206-T211 WeakPolarHBondContact O-CG2 3.37Å |
| 207 | A | 93.6 | Very high | 92.9 | Very high | 29 Ų | 29 | 91.5 Ų | 91.5 | 24% | 0.24 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -86 | -7.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R185 V188 A203 F204 L205 | R185-A207 HydrophobicContact CB-CB 3.91Å; R185-A207 HydrophobicContact CG-CB 4.43Å; V188-A207 HydrophobicContact CG2-CB 4.15Å; A203-A207 VanDerWaalsContact O-CB 3.25Å; A203-A207 WeakPolarHBondContact O-CB 3.36Å; A203-A207 PolarHBondContact O-N 2.92Å; F204-A207 CarbonylContact O-C 3.55Å; F204-A207 PolarHBondContact O-N 3.4Å; L205-A207 VanDerWaalsContact C-N 3.34Å |
| 208 | Y | 94 | Very high | 93.1 | Very high | 146 Ų | 146 | 87.2 Ų | 87.2 | 57% | 0.573 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -65.6 | 143 | -176.8 | -158.9 | -96.8 | 0 | 0 | 0 | 111.7 | F204 L205 N210 T211 | F204-Y208 AromaticContact CE1-CD2 3.99Å; F204-Y208 HydrophobicContact CE1-CD2 3.99Å; F204-Y208 HydrophobicContact CE1-CE2 4.37Å; F204-Y208 HydrophobicContact CZ-CD2 4.01Å; F204-Y208 HydrophobicContact CZ-CE2 4.23Å; F204-Y208 PolarHBondContact O-N 3.18Å; L205-Y208 WeakPolarHBondContact O-CB 3.44Å; L205-Y208 PolarHBondContact O-N 2.8Å; Y208-N210 PolarHBondContact O-N 2.97Å; Y208-T211 WeakPolarHBondContact O-CB 3.47Å; Y208-T211 WeakPolarHBondContact O-CG2 3.49Å; Y208-T211 PolarHBondContact O-N 3.45Å |
| 209 | R | 93.9 | Very high | 93 | Very high | 200 Ų | 200 | 87.2 Ų | 87.2 | 76% | 0.755 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 136.3 | -175.8 | 178.4 | 174.7 | 157.9 | 83.3 | 0.4 | 111 | T211 | R209-T211 PolarHBondContact O-N 2.95Š|
| 210 | N | 92.4 | Very high | 93 | Very high | 100 Ų | 100 | 88.9 Ų | 88.9 | 54% | 0.535 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 16.6 | 178.2 | -58.9 | -7.6 | 0 | 0 | 0 | 115.1 | Y208 H301 | Y208-N210 PolarHBondContact O-N 2.97Å; N210-H301 PolarHBondContact O-CE1 3Å; N210-H301 PolarHBondContact O-NE2 3.17Å; N210-H301 VanDerWaalsContact O-NE2 3.09Å |
| 211 | T | 93.9 | Very high | 93 | Very high | 70 Ų | 70 | 93.2 Ų | 93.2 | 43% | 0.429 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 138.9 | 170.2 | -161.8 | 0 | 0 | 0 | 0 | 110.6 | L205 K206 Y208 R209 | L205-T211 PolarHBondContact O-OG1 2.89Å; K206-T211 WeakPolarHBondContact O-CG2 3.37Å; Y208-T211 WeakPolarHBondContact O-CB 3.47Å; Y208-T211 WeakPolarHBondContact O-CG2 3.49Å; Y208-T211 PolarHBondContact O-N 3.45Å; R209-T211 PolarHBondContact O-N 2.95Å |
| 212 | V | 93.7 | Very high | 92.7 | Very high | 56 Ų | 56 | 97.7 Ų | 97.7 | 34% | 0.339 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -98.8 | 127.3 | 177.2 | -177.2 | 0 | 0 | 0 | 0 | 108.1 | L304 | V212-L304 HydrophobicContact CG1-CD1 3.59Å; V212-L304 HydrophobicContact CG1-CD2 3.87Å; V212-L304 HydrophobicContact CG1-CG 3.67Å |
| 213 | P | 93.7 | Very high | 92.6 | Very high | 94 Ų | 94 | 102.3 Ų | 102.3 | 61% | 0.61 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 156.6 | -179.3 | 27.7 | -35.2 | 0 | 0 | 0 | 111.7 | L304 | P213-L304 VanDerWaalsContact O-CD1 3.28Å; P213-L304 WeakPolarHBondContact O-CD1 3.46Å |
| 214 | V | 93.7 | Very high | 92.4 | Very high | 104 Ų | 104 | 105.6 Ų | 105.6 | 63% | 0.63 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -64 | 133.7 | 175.8 | -178.6 | 0 | 0 | 0 | 0 | 109.9 | K216 W218 | V214-K216 PolarHBondContact O-N 3.24Å; V214-W218 HydrophobicContact CG1-CB 4.5Å; V214-W218 HydrophobicContact CG1-CG 4.35Å |
| 215 | P | 94.1 | Very high | 92.1 | Very high | 51 Ų | 51 | 104.2 Ų | 104.2 | 33% | 0.331 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 131.7 | 178.7 | -27.8 | 33.8 | 0 | 0 | 0 | 113.4 | H217 W218 L304 | P215-H217 WeakPolarHBondContact CB-ND1 3.4Å; P215-H217 PolarHBondContact O-N 3.34Å; P215-W218 VanDerWaalsContact O-CD1 3.28Å; P215-W218 PolarHBondContact O-N 2.96Å; P215-L304 HydrophobicContact CG-CD1 4.12Å |
| 216 | K | 90.1 | Very high | 91.8 | Very high | 170 Ų | 170 | 104.5 Ų | 104.5 | 74% | 0.739 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -56.2 | -22 | -171.4 | -64.2 | -178.4 | -179.9 | 176.9 | 0 | 115.5 | V214 W218 C219 | V214-K216 PolarHBondContact O-N 3.24Å; K216-W218 VanDerWaalsContact C-N 3.25Å; K216-W218 PolarHBondContact O-N 3.49Å; K216-C219 PolarHBondContact O-SG 2.95Å |
| 217 | H | 92.2 | Very high | 91.3 | Very high | 82 Ų | 82 | 104.3 Ų | 104.3 | 38% | 0.38 | 52% | 0.519 | S | S | . | . | G | 310 helix | trans | -73.4 | -8.6 | -174.8 | 70.1 | -96.1 | 0 | 0 | 0 | 114.8 | P215 C219 A220 Y224 | P215-H217 WeakPolarHBondContact CB-ND1 3.4Å; P215-H217 PolarHBondContact O-N 3.34Å; H217-C219 PolarHBondContact O-N 2.92Å; H217-A220 WeakPolarHBondContact O-CB 3.3Å; H217-A220 PolarHBondContact O-N 3.44Å; H217-Y224 HydrophobicContact CB-CD2 3.67Å; H217-Y224 HydrophobicContact CB-CE2 4.27Å; H217-Y224 AromaticContact CD2-CD2 3.89Å; H217-Y224 AromaticContact CE1-CD2 3.74Å; H217-Y224 AromaticContact CE1-CE2 3.95Å; H217-Y224 AromaticContact CG-CD2 3.33Å; H217-Y224 AromaticContact CG-CE2 3.91Å; H217-Y224 AromaticContact ND1-CD2 3.24Å; H217-Y224 WeakPolarHBondContact ND1-CD2 3.28Å; H217-Y224 AromaticContact ND1-CE2 3.37Å; H217-Y224 WeakPolarHBondContact ND1-CE2 3.47Å |
| 218 | W | 93.6 | Very high | 90.8 | Very high | 132 Ų | 132 | 104.9 Ų | 104.9 | 50% | 0.5 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -59.8 | -27.9 | -177.4 | 76 | -89.6 | 0 | 0 | 0 | 113.6 | W192 V214 P215 K216 | W192-W218 HydrophobicContact CB-CH2 4.27Å; W192-W218 HydrophobicContact CB-CZ2 4.45Å; W192-W218 AromaticContact CD1-CZ2 3.82Å; W192-W218 HydrophobicContact CD2-CH2 4.21Å; W192-W218 AromaticContact CD2-CZ2 3.55Å; W192-W218 HydrophobicContact CD2-CZ2 3.55Å; W192-W218 AromaticContact CE2-CZ2 3.6Å; W192-W218 HydrophobicContact CE3-CZ2 4.1Å; W192-W218 AromaticContact CG-CH2 3.97Å; W192-W218 HydrophobicContact CG-CH2 3.97Å; W192-W218 AromaticContact CG-CZ2 3.69Å; W192-W218 HydrophobicContact CG-CZ2 3.69Å; W192-W218 HydrophobicContact CZ2-CZ2 4.18Å; W192-W218 AromaticContact NE1-CZ2 3.73Å; V214-W218 HydrophobicContact CG1-CB 4.5Å; V214-W218 HydrophobicContact CG1-CG 4.35Å; P215-W218 VanDerWaalsContact O-CD1 3.28Å; P215-W218 PolarHBondContact O-N 2.96Å; K216-W218 VanDerWaalsContact C-N 3.25Å; K216-W218 PolarHBondContact O-N 3.49Å |
| 219 | C | 90.2 | Very high | 89.9 | Confident | 80 Ų | 80 | 109.7 Ų | 109.7 | 54% | 0.541 | 53% | 0.534 | S | S | . | . | G | 310 helix | trans | -96.5 | -0.9 | 178 | 65.2 | 0 | 0 | 0 | 0 | 113.3 | K216 H217 | K216-C219 PolarHBondContact O-SG 2.95Å; H217-C219 PolarHBondContact O-N 2.92Å |
| 220 | A | 90.3 | Very high | 89.2 | Confident | 55 Ų | 55 | 104.1 Ų | 104.1 | 46% | 0.455 | 54% | 0.538 | S | S | . | . | trans | -78.3 | 141.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111 | H217 R222 | H217-A220 WeakPolarHBondContact O-CB 3.3Å; H217-A220 PolarHBondContact O-N 3.44Å; A220-R222 VanDerWaalsContact C-N 3.33Å | ||
| 221 | K | 90.6 | Very high | 88.6 | Confident | 169 Ų | 169 | 104 Ų | 104 | 74% | 0.735 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -76.8 | -21.5 | 174.6 | -65.1 | -173.8 | -172.6 | 166.6 | 0 | 113.3 | Y82 | Y82-K221 VanDerWaalsContact CZ-NZ 3.35Å; Y82-K221 VanDerWaalsContact OH-CD 3.32Å; Y82-K221 WeakPolarHBondContact OH-CD 3.36Å; Y82-K221 VanDerWaalsContact OH-CE 3.26Å; Y82-K221 WeakPolarHBondContact OH-CE 3.35Å; Y82-K221 PolarHBondContact OH-NZ 3.43Å |
| 222 | R | 88.7 | Confident | 88.1 | Confident | 185 Ų | 185 | 109.2 Ų | 109.2 | 70% | 0.698 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -83.3 | 150.6 | -179.7 | -63 | -178.1 | 177.9 | 118.9 | -2.3 | 109.4 | A220 | A220-R222 VanDerWaalsContact C-N 3.33Š|
| 223 | K | 90.1 | Very high | 87.8 | Confident | 152 Ų | 152 | 114.7 Ų | 114.7 | 66% | 0.661 | 57% | 0.572 | S | S | * | * | trans | -67.9 | 147.4 | 168.8 | -53.6 | -173.1 | -175.8 | -179.3 | 0 | 108.8 | L225 Q226 | K223-L225 VanDerWaalsContact C-N 3.27Å; K223-L225 PolarHBondContact O-N 2.95Å; K223-Q226 HydrophobicContact CB-CG 3.86Å; K223-Q226 VanDerWaalsContact N-OE1 3.16Å; K223-Q226 WeakPolarHBondContact O-CB 3.15Å; K223-Q226 PolarHBondContact O-N 3.43Å | ||
| 224 | Y | 89.2 | Confident | 87.6 | Confident | 71 Ų | 71 | 114.6 Ų | 114.6 | 28% | 0.278 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -44 | -36.6 | -165.5 | 176 | -122.9 | 0 | 0 | 0 | 117.3 | H217 Y305 | H217-Y224 HydrophobicContact CB-CD2 3.67Å; H217-Y224 HydrophobicContact CB-CE2 4.27Å; H217-Y224 AromaticContact CD2-CD2 3.89Å; H217-Y224 AromaticContact CE1-CD2 3.74Å; H217-Y224 AromaticContact CE1-CE2 3.95Å; H217-Y224 AromaticContact CG-CD2 3.33Å; H217-Y224 AromaticContact CG-CE2 3.91Å; H217-Y224 AromaticContact ND1-CD2 3.24Å; H217-Y224 WeakPolarHBondContact ND1-CD2 3.28Å; H217-Y224 AromaticContact ND1-CE2 3.37Å; H217-Y224 WeakPolarHBondContact ND1-CE2 3.47Å; Y224-Y305 HydrophobicContact CE1-CD1 4.31Å; Y224-Y305 HydrophobicContact CE1-CE1 4.5Å; Y224-Y305 VanDerWaalsContact OH-C 3.25Å; Y224-Y305 WeakPolarHBondContact OH-CD1 3.05Å; Y224-Y305 PolarHBondContact OH-O 3.08Å |
| 225 | L | 88.5 | Confident | 87.5 | Confident | 94 Ų | 94 | 115.5 Ų | 115.5 | 49% | 0.492 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -115.3 | 12 | -177.6 | -64.6 | 173.6 | 0 | 0 | 0 | 114.3 | K223 G227 K228 Y305 | K223-L225 VanDerWaalsContact C-N 3.27Å; K223-L225 PolarHBondContact O-N 2.95Å; L225-G227 VanDerWaalsContact C-N 3.32Å; L225-G227 PolarHBondContact O-N 3.1Å; L225-K228 PolarHBondContact O-N 3.28Å; L225-Y305 HydrophobicContact CD2-CE1 4.14Å |
| 226 | Q | 87.3 | Confident | 87.4 | Confident | 101 Ų | 101 | 121.3 Ų | 121.3 | 47% | 0.472 | 60% | 0.599 | S | S | . | * | G | 310 helix | trans | -74.9 | -17.9 | -175 | -81.5 | -179.2 | -20.4 | 0 | 0 | 114.3 | K223 K228 R229 | K223-Q226 HydrophobicContact CB-CG 3.86Å; K223-Q226 VanDerWaalsContact N-OE1 3.16Å; K223-Q226 WeakPolarHBondContact O-CB 3.15Å; K223-Q226 PolarHBondContact O-N 3.43Å; Q226-K228 PolarHBondContact O-N 2.89Å; Q226-R229 WeakPolarHBondContact O-CB 3.37Å; Q226-R229 PolarHBondContact O-N 2.8Å |
| 227 | G | 82.8 | Confident | 87.5 | Confident | 50 Ų | 50 | 122.5 Ų | 122.5 | 52% | 0.515 | 60% | 0.599 | S | S | . | * | G | 310 helix | trans | -70.2 | -20.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L225 R229 E307 | L225-G227 VanDerWaalsContact C-N 3.32Å; L225-G227 PolarHBondContact O-N 3.1Å; G227-R229 PolarHBondContact O-N 2.95Å; G227-E307 WeakPolarHBondContact CA-OE1 3.46Å; G227-E307 PolarHBondContact N-OE1 3.44Å |
| 228 | K | 83.5 | Confident | 87.5 | Confident | 41 Ų | 41 | 120.8 Ų | 120.8 | 18% | 0.178 | 59% | 0.593 | C | S | . | * | G | 310 helix | trans | -72.4 | 1.9 | 174.4 | -61.3 | -71.4 | 172 | 162.4 | 0 | 114.8 | L225 Q226 G230 F231 E307 E310 | L225-K228 PolarHBondContact O-N 3.28Å; Q226-K228 PolarHBondContact O-N 2.89Å; K228-G230 PolarHBondContact O-N 2.73Å; K228-F231 PolarHBondContact O-N 3.45Å; K228-E307 HydrophobicContact CD-CG 4.44Å; K228-E307 HydrophobicContact CG-CG 4.21Å; K228-E307 PolarHBondContact N-OE1 3.48Å; K228-E310 WeakPolarHBondContact CE-OE1 3.44Å; K228-E310 IonicContact NZ-OE1 2.95Å; K228-E310 PolarHBondContact NZ-OE1 3.09Å; K228-E310 IonicContact NZ-OE2 2.68Å |
| 229 | R | 75.1 | Confident | 87.5 | Confident | 247 Ų | 247 | 116.9 Ų | 116.9 | 93% | 0.932 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -64.3 | -8.2 | -172.5 | -170 | 169.9 | 178 | -165.9 | -1.6 | 115.6 | Q226 G227 | Q226-R229 WeakPolarHBondContact O-CB 3.37Å; Q226-R229 PolarHBondContact O-N 2.8Å; G227-R229 PolarHBondContact O-N 2.95Å |
| 230 | G | 80.4 | Confident | 87.6 | Confident | 82 Ų | 82 | 117.3 Ų | 117.3 | 85% | 0.845 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -117.3 | 4.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | K228 | K228-G230 PolarHBondContact O-N 2.73Š|
| 231 | F | 79.5 | Confident | 87.7 | Confident | 99 Ų | 99 | 115.2 Ų | 115.2 | 43% | 0.434 | 56% | 0.562 | S | S | . | * | trans | -100.3 | 117.1 | -175.8 | -174.1 | -94.7 | 0 | 0 | 0 | 110.3 | K228 K233 F311 | K228-F231 PolarHBondContact O-N 3.45Å; F231-K233 PolarHBondContact O-N 2.78Å; F231-F311 HydrophobicContact CD1-CE1 4.49Å; F231-F311 AromaticContact CD1-CZ 3.82Å; F231-F311 HydrophobicContact CD1-CZ 3.82Å; F231-F311 HydrophobicContact CD2-CE1 4.21Å; F231-F311 HydrophobicContact CD2-CE2 4.46Å; F231-F311 AromaticContact CD2-CZ 3.6Å; F231-F311 HydrophobicContact CD2-CZ 3.6Å; F231-F311 AromaticContact CE1-CE1 3.81Å; F231-F311 HydrophobicContact CE1-CE1 3.81Å; F231-F311 AromaticContact CE1-CZ 3.59Å; F231-F311 HydrophobicContact CE1-CZ 3.59Å; F231-F311 AromaticContact CE2-CE1 3.49Å; F231-F311 HydrophobicContact CE2-CE1 3.49Å; F231-F311 VanDerWaalsContact CE2-CE1 3.49Å; F231-F311 HydrophobicContact CE2-CE2 4.49Å; F231-F311 AromaticContact CE2-CZ 3.36Å; F231-F311 HydrophobicContact CE2-CZ 3.36Å; F231-F311 AromaticContact CG-CZ 3.84Å; F231-F311 HydrophobicContact CG-CZ 3.84Å; F231-F311 AromaticContact CZ-CE1 3.27Å; F231-F311 HydrophobicContact CZ-CE1 3.27Å; F231-F311 AromaticContact CZ-CZ 3.37Å; F231-F311 HydrophobicContact CZ-CZ 3.37Å | ||
| 232 | E | 83.3 | Confident | 87.8 | Confident | 178 Ų | 178 | 109 Ų | 109 | 83% | 0.832 | 54% | 0.536 | S | S | * | . | trans | -79.3 | 108.1 | 173.2 | -169.8 | 168.4 | -167.6 | 0 | 0 | 109.5 | ||||
| 233 | K | 87.6 | Confident | 87.9 | Confident | 172 Ų | 172 | 101.6 Ų | 101.6 | 75% | 0.748 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -74.2 | 130.1 | 174.5 | -176.1 | -175.4 | 173.4 | -177.9 | 0 | 108.4 | F231 | F231-K233 PolarHBondContact O-N 2.78Š|
| 234 | P | 88.2 | Confident | 88 | Confident | 92 Ų | 92 | 101.7 Ų | 101.7 | 60% | 0.597 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 150.9 | 174.1 | 25.7 | -34.4 | 0 | 0 | 0 | 110.6 | ||
| 235 | P | 91.3 | Very high | 88.1 | Confident | 122 Ų | 122 | 98.8 Ų | 98.8 | 79% | 0.792 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 164.4 | 175.7 | 26.9 | -34.2 | 0 | 0 | 0 | 111 | R237 | P235-R237 PolarHBondContact O-N 3.15Å; P235-R237 VanDerWaalsContact O-N 3.17Å |
| 236 | F | 93.5 | Very high | 88.3 | Confident | 173 Ų | 173 | 95.4 Ų | 95.4 | 76% | 0.759 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 119.8 | -176.9 | -177.8 | -109.9 | 0 | 0 | 0 | 111.2 | L238 | F236-L238 HydrophobicContact CD1-CD2 4.3Å; F236-L238 HydrophobicContact CE1-CD2 4Å |
| 237 | R | 91.6 | Very high | 88.4 | Confident | 196 Ų | 196 | 91.9 Ų | 91.9 | 74% | 0.74 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -82.2 | 120.5 | 170.6 | -179.9 | 175.2 | 170.8 | 172 | -3.1 | 109.2 | P235 D240 | P235-R237 PolarHBondContact O-N 3.15Å; P235-R237 VanDerWaalsContact O-N 3.17Å; R237-D240 IonicContact CZ-OD1 3.1Å; R237-D240 IonicContact NE-OD1 2.62Å; R237-D240 IonicContact NH2-OD1 2.84Å; R237-D240 PolarHBondContact NH2-OD1 2.89Å; R237-D240 VanDerWaalsContact NH2-OD1 3.1Å |
| 238 | L | 92.6 | Very high | 88.8 | Confident | 46 Ų | 46 | 94.5 Ų | 94.5 | 24% | 0.241 | 47% | 0.473 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 144.4 | 174.7 | -72.3 | 164.4 | 0 | 0 | 0 | 110.6 | F236 I242 A243 I247 M248 | F236-L238 HydrophobicContact CD1-CD2 4.3Å; F236-L238 HydrophobicContact CE1-CD2 4Å; L238-I242 HydrophobicContact CD2-CG2 4.13Å; L238-A243 HydrophobicContact CB-CB 4.45Å; L238-I247 HydrophobicContact CD1-CG2 4.45Å; L238-M248 HydrophobicContact CD1-CB 4.14Å |
| 239 | P | 92.9 | Very high | 89.2 | Confident | 49 Ų | 49 | 99.3 Ų | 99.3 | 32% | 0.318 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 144.2 | 168.4 | -23.7 | 33.3 | 0 | 0 | 0 | 111.3 | F241 I242 A243 | P239-F241 HydrophobicContact CB-CD1 3.89Å; P239-F241 HydrophobicContact CB-CE1 3.38Å; P239-F241 HydrophobicContact CB-CE2 4.48Å; P239-F241 HydrophobicContact CB-CZ 3.7Å; P239-F241 HydrophobicContact CG-CE1 4.32Å; P239-F241 HydrophobicContact CG-CZ 4.24Å; P239-F241 PolarHBondContact O-N 3.43Å; P239-F241 VanDerWaalsContact O-N 3.14Å; P239-I242 HydrophobicContact CG-CD1 4.22Å; P239-I242 PolarHBondContact O-N 3.26Å; P239-A243 PolarHBondContact O-N 3.16Å |
| 240 | D | 92.1 | Very high | 89.8 | Confident | 89 Ų | 89 | 90.3 Ų | 90.3 | 48% | 0.476 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63 | -27.9 | -169 | -55.9 | -40.8 | 0 | 0 | 0 | 113.1 | R237 R244 | R237-D240 IonicContact CZ-OD1 3.1Å; R237-D240 IonicContact NE-OD1 2.62Å; R237-D240 IonicContact NH2-OD1 2.84Å; R237-D240 PolarHBondContact NH2-OD1 2.89Å; R237-D240 VanDerWaalsContact NH2-OD1 3.1Å; D240-R244 WeakPolarHBondContact O-CB 3.49Å; D240-R244 VanDerWaalsContact O-CG 3.28Å; D240-R244 WeakPolarHBondContact O-CG 3.49Å; D240-R244 PolarHBondContact O-N 3.04Å; D240-R244 VanDerWaalsContact O-N 3.09Å; D240-R244 PolarHBondContact O-NE 3.47Å |
| 241 | F | 92.6 | Very high | 90.4 | Very high | 12 Ų | 12 | 94 Ų | 94 | 5% | 0.053 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -72.7 | -30.5 | 174.7 | 60.5 | -90.1 | 0 | 0 | 0 | 113.2 | P239 A288 Y292 T294 | P239-F241 HydrophobicContact CB-CD1 3.89Å; P239-F241 HydrophobicContact CB-CE1 3.38Å; P239-F241 HydrophobicContact CB-CE2 4.48Å; P239-F241 HydrophobicContact CB-CZ 3.7Å; P239-F241 HydrophobicContact CG-CE1 4.32Å; P239-F241 HydrophobicContact CG-CZ 4.24Å; P239-F241 PolarHBondContact O-N 3.43Å; P239-F241 VanDerWaalsContact O-N 3.14Å; F241-A288 WeakPolarHBondContact CD2-O 3.38Å; F241-Y292 WeakPolarHBondContact CB-O 3.29Å; F241-T294 HydrophobicContact CD1-CG2 4.45Å; F241-T294 VanDerWaalsContact CD1-OG1 3.28Å; F241-T294 WeakPolarHBondContact CD1-OG1 3.24Å; F241-T294 WeakPolarHBondContact CE1-OG1 3.47Å |
| 242 | I | 92.7 | Very high | 91 | Very high | 37 Ų | 37 | 93.7 Ų | 93.7 | 19% | 0.19 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -77.9 | -40.3 | 172.5 | -57.6 | -177.1 | 0 | 0 | 0 | 109.9 | L238 P239 R244 T245 I247 F289 | L238-I242 HydrophobicContact CD2-CG2 4.13Å; P239-I242 HydrophobicContact CG-CD1 4.22Å; P239-I242 PolarHBondContact O-N 3.26Å; I242-R244 PolarHBondContact O-N 3.04Å; I242-T245 WeakPolarHBondContact O-CB 3.31Å; I242-T245 WeakPolarHBondContact O-CG2 3.35Å; I242-T245 PolarHBondContact O-N 3.37Å; I242-T245 PolarHBondContact O-OG1 3.41Å; I242-I247 HydrophobicContact CG2-CG2 4.21Å; I242-F289 HydrophobicContact CD1-CE1 4.31Å; I242-F289 HydrophobicContact CD1-CZ 4.33Å |
| 243 | A | 91.9 | Very high | 91.4 | Very high | 31 Ų | 31 | 88.4 Ų | 88.4 | 26% | 0.256 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58.7 | -39.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L238 P239 T245 G246 | L238-A243 HydrophobicContact CB-CB 4.45Å; P239-A243 PolarHBondContact O-N 3.16Å; A243-T245 PolarHBondContact O-N 3.35Å; A243-T245 VanDerWaalsContact O-N 3.16Å; A243-G246 PolarHBondContact O-N 2.91Å; A243-G246 VanDerWaalsContact O-N 3.08Å |
| 244 | R | 91.3 | Very high | 91.5 | Very high | 153 Ų | 153 | 81.4 Ų | 81.4 | 58% | 0.577 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -16.8 | 175.1 | -81 | -177.2 | -81.9 | 156.8 | -8.8 | 115.1 | D240 I242 G246 | D240-R244 WeakPolarHBondContact O-CB 3.49Å; D240-R244 VanDerWaalsContact O-CG 3.28Å; D240-R244 WeakPolarHBondContact O-CG 3.49Å; D240-R244 PolarHBondContact O-N 3.04Å; D240-R244 VanDerWaalsContact O-N 3.09Å; D240-R244 PolarHBondContact O-NE 3.47Å; I242-R244 PolarHBondContact O-N 3.04Å; R244-G246 PolarHBondContact O-N 3.28Å |
| 245 | T | 92.6 | Very high | 91.7 | Very high | 11 Ų | 11 | 83 Ų | 83 | 7% | 0.067 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -14.7 | 173.1 | 67 | 0 | 0 | 0 | 0 | 112.9 | I242 A243 I247 L285 A288 | I242-T245 WeakPolarHBondContact O-CB 3.31Å; I242-T245 WeakPolarHBondContact O-CG2 3.35Å; I242-T245 PolarHBondContact O-N 3.37Å; I242-T245 PolarHBondContact O-OG1 3.41Å; A243-T245 PolarHBondContact O-N 3.35Å; A243-T245 VanDerWaalsContact O-N 3.16Å; T245-I247 VanDerWaalsContact C-N 3.25Å; T245-I247 PolarHBondContact O-N 2.96Å; T245-I247 VanDerWaalsContact OG1-CG2 3.29Å; T245-I247 WeakPolarHBondContact OG1-CG2 3.34Å; T245-I247 PolarHBondContact OG1-N 3.47Å; T245-L285 HydrophobicContact CG2-CD2 4.02Å; T245-A288 HydrophobicContact CG2-CB 3.55Å |
| 246 | G | 91 | Very high | 91.8 | Very high | 22 Ų | 22 | 80.6 Ų | 80.6 | 23% | 0.227 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | 0.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | A243 R244 M248 E249 M250 | A243-G246 PolarHBondContact O-N 2.91Å; A243-G246 VanDerWaalsContact O-N 3.08Å; R244-G246 PolarHBondContact O-N 3.28Å; G246-M248 PolarHBondContact O-N 2.95Å; G246-E249 PolarHBondContact O-N 3.47Å; G246-M250 WeakPolarHBondContact O-CG 3.32Å; G246-M250 PolarHBondContact O-N 3.28Å; G246-M250 VanDerWaalsContact O-N 3.11Å |
| 247 | I | 90 | Very high | 91.7 | Very high | 27 Ų | 27 | 78.6 Ų | 78.6 | 14% | 0.138 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.1 | -32 | -177.5 | -171.8 | 62.8 | 0 | 0 | 0 | 113.2 | L238 I242 T245 R251 V278 I280 | L238-I247 HydrophobicContact CD1-CG2 4.45Å; I242-I247 HydrophobicContact CG2-CG2 4.21Å; T245-I247 VanDerWaalsContact C-N 3.25Å; T245-I247 PolarHBondContact O-N 2.96Å; T245-I247 VanDerWaalsContact OG1-CG2 3.29Å; T245-I247 WeakPolarHBondContact OG1-CG2 3.34Å; T245-I247 PolarHBondContact OG1-N 3.47Å; I247-R251 HydrophobicContact CD1-CG 3.82Å; I247-R251 HydrophobicContact CG1-CG 4.12Å; I247-R251 VanDerWaalsContact O-CB 3.31Å; I247-R251 WeakPolarHBondContact O-CB 3.35Å; I247-R251 WeakPolarHBondContact O-CG 2.91Å; I247-R251 PolarHBondContact O-N 3.05Å; I247-V278 HydrophobicContact CD1-CG1 3.85Å; I247-I280 HydrophobicContact CB-CD1 3.89Å; I247-I280 HydrophobicContact CD1-CD1 3.38Å; I247-I280 HydrophobicContact CG1-CD1 4.16Å |
| 248 | M | 91.1 | Very high | 91.6 | Very high | 106 Ų | 106 | 71.9 Ų | 71.9 | 52% | 0.522 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.7 | -50.4 | 180 | -174.4 | 173.6 | 67.7 | 0 | 0 | 110.9 | L238 G246 Q252 | L238-M248 HydrophobicContact CD1-CB 4.14Å; G246-M248 PolarHBondContact O-N 2.95Å; M248-Q252 WeakPolarHBondContact O-CB 3.43Å; M248-Q252 PolarHBondContact O-N 2.74Å |
| 249 | E | 91.5 | Very high | 91.6 | Very high | 141 Ų | 141 | 73.5 Ų | 73.5 | 66% | 0.659 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -65.9 | -46.9 | 179.5 | -64.7 | 173.9 | -173.2 | 0 | 0 | 110.8 | G246 R251 Q252 T253 | G246-E249 PolarHBondContact O-N 3.47Å; E249-R251 PolarHBondContact O-N 2.82Å; E249-Q252 PolarHBondContact O-N 3.25Å; E249-T253 WeakPolarHBondContact O-CG2 3.2Å; E249-T253 PolarHBondContact O-N 3.26Å |
| 250 | M | 89.4 | Confident | 91.6 | Very high | 59 Ų | 59 | 77.6 Ų | 77.6 | 29% | 0.291 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.8 | -41.8 | -178.2 | -60.7 | -155.8 | -36.8 | 0 | 0 | 112.6 | G246 T253 V254 V278 I280 | G246-M250 WeakPolarHBondContact O-CG 3.32Å; G246-M250 PolarHBondContact O-N 3.28Å; G246-M250 VanDerWaalsContact O-N 3.11Å; M250-T253 PolarHBondContact O-N 3.43Å; M250-T253 PolarHBondContact O-OG1 3.39Å; M250-V254 WeakPolarHBondContact O-CG2 3.38Å; M250-V254 PolarHBondContact O-N 2.95Å; M250-V254 VanDerWaalsContact O-N 3.16Å; M250-V278 HydrophobicContact CB-CG1 4.39Å; M250-V278 HydrophobicContact CE-CB 4.48Å; M250-V278 HydrophobicContact CE-CG1 3.55Å; M250-I280 HydrophobicContact CE-CB 4.44Å; M250-I280 HydrophobicContact CE-CD1 3.62Å; M250-I280 HydrophobicContact CE-CG1 3.08Å |
| 251 | R | 92.1 | Very high | 91.5 | Very high | 158 Ų | 158 | 75.3 Ų | 75.3 | 60% | 0.596 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -66.4 | -38.6 | 174.9 | -75.9 | -173.8 | -176.6 | -80.3 | -5.3 | 112 | I247 E249 V254 Q255 | I247-R251 HydrophobicContact CD1-CG 3.82Å; I247-R251 HydrophobicContact CG1-CG 4.12Å; I247-R251 VanDerWaalsContact O-CB 3.31Å; I247-R251 WeakPolarHBondContact O-CB 3.35Å; I247-R251 WeakPolarHBondContact O-CG 2.91Å; I247-R251 PolarHBondContact O-N 3.05Å; E249-R251 PolarHBondContact O-N 2.82Å; R251-V254 PolarHBondContact O-N 2.93Å; R251-Q255 WeakPolarHBondContact O-CB 3.33Å; R251-Q255 PolarHBondContact O-N 2.88Å |
| 252 | Q | 91.6 | Very high | 91.5 | Very high | 93 Ų | 93 | 78.9 Ų | 78.9 | 44% | 0.435 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.4 | -47.7 | 176.1 | -171 | 62.1 | 44.1 | 0 | 0 | 110.6 | M248 E249 V254 Q255 D256 | M248-Q252 WeakPolarHBondContact O-CB 3.43Å; M248-Q252 PolarHBondContact O-N 2.74Å; E249-Q252 PolarHBondContact O-N 3.25Å; Q252-V254 VanDerWaalsContact C-N 3.26Å; Q252-V254 PolarHBondContact O-N 2.62Å; Q252-Q255 WeakPolarHBondContact O-CB 3.46Å; Q252-Q255 PolarHBondContact O-N 2.67Å; Q252-Q255 VanDerWaalsContact O-N 3.09Å; Q252-D256 PolarHBondContact NE2-OD1 2.73Å; Q252-D256 PolarHBondContact O-N 3.11Å |
| 253 | T | 91.6 | Very high | 91.3 | Very high | 68 Ų | 68 | 84.2 Ų | 84.2 | 42% | 0.417 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.8 | -32.3 | 177.5 | 66.4 | 0 | 0 | 0 | 0 | 113.4 | E249 M250 K257 | E249-T253 WeakPolarHBondContact O-CG2 3.2Å; E249-T253 PolarHBondContact O-N 3.26Å; M250-T253 PolarHBondContact O-N 3.43Å; M250-T253 PolarHBondContact O-OG1 3.39Å; T253-K257 WeakPolarHBondContact O-CB 3.48Å; T253-K257 WeakPolarHBondContact O-CD 3.21Å; T253-K257 WeakPolarHBondContact O-CG 3.11Å; T253-K257 PolarHBondContact O-N 3.06Å |
| 254 | V | 91 | Very high | 91.4 | Very high | 25 Ų | 25 | 91.3 Ų | 91.3 | 15% | 0.152 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -73.1 | -39.2 | 175.4 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | M250 R251 Q252 K257 D258 K277 V278 | M250-V254 WeakPolarHBondContact O-CG2 3.38Å; M250-V254 PolarHBondContact O-N 2.95Å; M250-V254 VanDerWaalsContact O-N 3.16Å; R251-V254 PolarHBondContact O-N 2.93Å; Q252-V254 VanDerWaalsContact C-N 3.26Å; Q252-V254 PolarHBondContact O-N 2.62Å; V254-K257 PolarHBondContact O-N 3.41Å; V254-D258 WeakPolarHBondContact O-CB 3.38Å; V254-D258 PolarHBondContact O-N 3.42Å; V254-K277 HydrophobicContact CG1-CD 4.21Å; V254-K277 HydrophobicContact CG2-CB 4.11Å; V254-V278 HydrophobicContact CB-CG2 4.38Å; V254-V278 HydrophobicContact CG2-CG2 3.65Å |
| 255 | Q | 92.1 | Very high | 91.3 | Very high | 126 Ų | 126 | 86.7 Ų | 86.7 | 59% | 0.589 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -63.6 | -44.3 | 175.3 | -174.6 | 172.5 | 7.8 | 0 | 0 | 111.4 | R251 Q252 D258 S259 | R251-Q255 WeakPolarHBondContact O-CB 3.33Å; R251-Q255 PolarHBondContact O-N 2.88Å; Q252-Q255 WeakPolarHBondContact O-CB 3.46Å; Q252-Q255 PolarHBondContact O-N 2.67Å; Q252-Q255 VanDerWaalsContact O-N 3.09Å; Q255-D258 CarbonylContact O-C 3.39Å; Q255-D258 PolarHBondContact O-N 3.23Å; Q255-D258 VanDerWaalsContact O-N 3.16Å; Q255-S259 PolarHBondContact O-N 2.93Å; Q255-S259 PolarHBondContact O-OG 2.81Å |
| 256 | D | 93.1 | Very high | 91.2 | Very high | 71 Ų | 71 | 90.8 Ų | 90.8 | 38% | 0.38 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 177.4 | -60.8 | -20.1 | 0 | 0 | 0 | 110.8 | Q252 D258 S259 D260 | Q252-D256 PolarHBondContact NE2-OD1 2.73Å; Q252-D256 PolarHBondContact O-N 3.11Å; D256-D258 VanDerWaalsContact C-N 3.26Å; D256-D258 PolarHBondContact O-N 3.49Å; D256-S259 WeakPolarHBondContact CA-OG 3.35Å; D256-S259 PolarHBondContact O-N 3.07Å; D256-S259 PolarHBondContact O-OG 3.4Å; D256-D260 PolarHBondContact O-N 3.19Å; D256-D260 VanDerWaalsContact O-N 3.1Å |
| 257 | K | 91.3 | Very high | 91.1 | Very high | 130 Ų | 130 | 94.8 Ų | 94.8 | 57% | 0.565 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -61.1 | -34.3 | 172.8 | -76.3 | 171 | -177.7 | 169.7 | 0 | 112.4 | T253 V254 K261 | T253-K257 WeakPolarHBondContact O-CB 3.48Å; T253-K257 WeakPolarHBondContact O-CD 3.21Å; T253-K257 WeakPolarHBondContact O-CG 3.11Å; T253-K257 PolarHBondContact O-N 3.06Å; V254-K257 PolarHBondContact O-N 3.41Å; K257-K261 WeakPolarHBondContact O-CD 3.5Å; K257-K261 WeakPolarHBondContact O-CE 3.29Å; K257-K261 WeakPolarHBondContact O-CG 3.45Å; K257-K261 PolarHBondContact O-N 3.36Å |
| 258 | D | 89.9 | Confident | 91.2 | Very high | 55 Ų | 55 | 102.5 Ų | 102.5 | 29% | 0.294 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -81.1 | -23.4 | 178.4 | -77 | -8.6 | 0 | 0 | 0 | 112.4 | V254 Q255 D256 K261 K266 K277 | V254-D258 WeakPolarHBondContact O-CB 3.38Å; V254-D258 PolarHBondContact O-N 3.42Å; Q255-D258 CarbonylContact O-C 3.39Å; Q255-D258 PolarHBondContact O-N 3.23Å; Q255-D258 VanDerWaalsContact O-N 3.16Å; D256-D258 VanDerWaalsContact C-N 3.26Å; D256-D258 PolarHBondContact O-N 3.49Å; D258-K261 WeakPolarHBondContact OD1-CE 3.25Å; D258-K261 IonicContact OD1-NZ 3.24Å; D258-K261 PolarHBondContact OD1-NZ 3.47Å; D258-K266 WeakPolarHBondContact O-CE 3.49Å; D258-K266 PolarHBondContact O-NZ 3Å; D258-K277 IonicContact OD1-NZ 2.82Å; D258-K277 PolarHBondContact OD1-NZ 3.21Å; D258-K277 IonicContact OD2-NZ 2.96Å |
| 259 | S | 92.6 | Very high | 91.1 | Very high | 80 Ų | 80 | 99.1 Ų | 99.1 | 56% | 0.559 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -72 | -37.9 | 169.8 | 52.2 | 0 | 0 | 0 | 0 | 112.3 | Q255 D256 K261 | Q255-S259 PolarHBondContact O-N 2.93Å; Q255-S259 PolarHBondContact O-OG 2.81Å; D256-S259 WeakPolarHBondContact CA-OG 3.35Å; D256-S259 PolarHBondContact O-N 3.07Å; D256-S259 PolarHBondContact O-OG 3.4Å; S259-K261 VanDerWaalsContact C-N 3.3Å; S259-K261 PolarHBondContact O-N 2.85Å |
| 260 | D | 92.6 | Very high | 91 | Very high | 136 Ų | 136 | 100.1 Ų | 100.1 | 73% | 0.727 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -74.4 | -20.4 | -179.3 | -66.3 | -16 | 0 | 0 | 0 | 113.2 | D256 T262 | D256-D260 PolarHBondContact O-N 3.19Å; D256-D260 VanDerWaalsContact O-N 3.1Å; D260-T262 PolarHBondContact O-N 2.67Å |
| 261 | K | 90.1 | Very high | 91 | Very high | 40 Ų | 40 | 103.2 Ų | 103.2 | 17% | 0.174 | 50% | 0.5 | C | S | . | . | S | Bend | trans | -69.1 | 122.3 | 179.5 | -79.4 | 168.5 | -162.1 | 176.1 | 0 | 111.8 | K257 D258 S259 T265 K266 E269 | K257-K261 WeakPolarHBondContact O-CD 3.5Å; K257-K261 WeakPolarHBondContact O-CE 3.29Å; K257-K261 WeakPolarHBondContact O-CG 3.45Å; K257-K261 PolarHBondContact O-N 3.36Å; D258-K261 WeakPolarHBondContact OD1-CE 3.25Å; D258-K261 IonicContact OD1-NZ 3.24Å; D258-K261 PolarHBondContact OD1-NZ 3.47Å; S259-K261 VanDerWaalsContact C-N 3.3Å; S259-K261 PolarHBondContact O-N 2.85Å; K261-T265 HydrophobicContact CB-CG2 4.33Å; K261-T265 HydrophobicContact CD-CG2 4.23Å; K261-T265 HydrophobicContact CG-CG2 3.91Å; K261-K266 HydrophobicContact CB-CG 4.04Å; K261-K266 VanDerWaalsContact O-CE 3.22Å; K261-K266 WeakPolarHBondContact O-CE 3.38Å; K261-E269 WeakPolarHBondContact CE-OE1 3.4Å; K261-E269 VanDerWaalsContact NZ-CD 3.26Å; K261-E269 IonicContact NZ-OE1 2.82Å; K261-E269 PolarHBondContact NZ-OE1 2.94Å; K261-E269 IonicContact NZ-OE2 3.59Å; K261-E269 PolarHBondContact NZ-OE2 3.39Å |
| 262 | T | 91.8 | Very high | 90.9 | Very high | 87 Ų | 87 | 105.3 Ų | 105.3 | 53% | 0.534 | 51% | 0.507 | S | S | . | . | trans | -57.8 | 154 | 168.6 | 70.9 | 0 | 0 | 0 | 0 | 112 | D260 K264 T265 K266 | D260-T262 PolarHBondContact O-N 2.67Å; T262-K264 PolarHBondContact O-N 2.84Å; T262-T265 WeakPolarHBondContact O-CA 3.47Å; T262-T265 WeakPolarHBondContact O-CB 3.45Å; T262-T265 PolarHBondContact O-N 3.42Å; T262-T265 PolarHBondContact OG1-N 3.29Å; T262-T265 PolarHBondContact OG1-OG1 3.42Å; T262-T265 VanDerWaalsContact OG1-OG1 3.07Å; T262-K266 PolarHBondContact O-N 3.1Å | ||
| 263 | L | 89.5 | Confident | 90.7 | Very high | 149 Ų | 149 | 105.3 Ų | 105.3 | 78% | 0.78 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -58 | -32.6 | -179.6 | -143.1 | 154.6 | 0 | 0 | 0 | 112.1 | K266 M267 | L263-K266 PolarHBondContact O-N 3.19Å; L263-M267 PolarHBondContact O-N 3.01Å |
| 264 | K | 92.4 | Very high | 90.4 | Very high | 181 Ų | 181 | 109.4 Ų | 109.4 | 79% | 0.787 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.7 | -43.5 | 172.1 | -71.1 | -175.3 | 177.6 | 178.3 | 0 | 112.1 | T262 M267 R268 | T262-K264 PolarHBondContact O-N 2.84Å; K264-M267 PolarHBondContact O-N 3.44Å; K264-R268 PolarHBondContact O-N 3.44Å |
| 265 | T | 89.4 | Confident | 90.1 | Very high | 55 Ų | 55 | 114.8 Ų | 114.8 | 34% | 0.337 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65 | -42 | 176.1 | -53.1 | 0 | 0 | 0 | 0 | 111 | K261 T262 M267 R268 E269 | K261-T265 HydrophobicContact CB-CG2 4.33Å; K261-T265 HydrophobicContact CD-CG2 4.23Å; K261-T265 HydrophobicContact CG-CG2 3.91Å; T262-T265 WeakPolarHBondContact O-CA 3.47Å; T262-T265 WeakPolarHBondContact O-CB 3.45Å; T262-T265 PolarHBondContact O-N 3.42Å; T262-T265 PolarHBondContact OG1-N 3.29Å; T262-T265 PolarHBondContact OG1-OG1 3.42Å; T262-T265 VanDerWaalsContact OG1-OG1 3.07Å; T265-M267 PolarHBondContact O-N 2.93Å; T265-R268 PolarHBondContact O-N 3.44Å; T265-E269 PolarHBondContact O-N 3.39Å |
| 266 | K | 90.6 | Very high | 89.5 | Confident | 97 Ų | 97 | 111.7 Ų | 111.7 | 42% | 0.422 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.1 | -41.8 | 174.9 | -68.6 | 179.4 | 175.7 | 172.6 | 0 | 112.3 | D258 K261 T262 L263 K270 | D258-K266 WeakPolarHBondContact O-CE 3.49Å; D258-K266 PolarHBondContact O-NZ 3Å; K261-K266 HydrophobicContact CB-CG 4.04Å; K261-K266 VanDerWaalsContact O-CE 3.22Å; K261-K266 WeakPolarHBondContact O-CE 3.38Å; T262-K266 PolarHBondContact O-N 3.1Å; L263-K266 PolarHBondContact O-N 3.19Å; K266-K270 PolarHBondContact O-N 3.39Å; K266-K270 VanDerWaalsContact O-N 3.08Å |
| 267 | M | 89.3 | Confident | 88.9 | Confident | 106 Ų | 106 | 112.6 Ų | 112.6 | 52% | 0.522 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.7 | -35.9 | 177.3 | -169.1 | 61.8 | -174.5 | 0 | 0 | 112.4 | L263 K264 T265 K270 I271 | L263-M267 PolarHBondContact O-N 3.01Å; K264-M267 PolarHBondContact O-N 3.44Å; T265-M267 PolarHBondContact O-N 2.93Å; M267-K270 PolarHBondContact O-N 2.85Å; M267-K270 HydrophobicContact SD-CD 4.49Å; M267-I271 PolarHBondContact O-N 2.99Å |
| 268 | R | 91.8 | Very high | 88.5 | Confident | 190 Ų | 190 | 108.8 Ų | 108.8 | 72% | 0.717 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -67.7 | -45.5 | 175.2 | -171.2 | -175.5 | -61.2 | -111.4 | 0.2 | 112.1 | K264 T265 K270 I271 R272 | K264-R268 PolarHBondContact O-N 3.44Å; T265-R268 PolarHBondContact O-N 3.44Å; R268-K270 PolarHBondContact O-N 2.92Å; R268-I271 PolarHBondContact O-N 3.39Å; R268-R272 PolarHBondContact O-N 3.13Å |
| 269 | E | 88.5 | Confident | 88.3 | Confident | 34 Ų | 34 | 112.1 Ų | 112.1 | 16% | 0.159 | 57% | 0.568 | C | S | . | * | H | α-helix | trans | -63.9 | -28.1 | 176.5 | -76 | -170.1 | -175.6 | 0 | 0 | 112.2 | K261 T265 R272 P273 K277 | K261-E269 WeakPolarHBondContact CE-OE1 3.4Å; K261-E269 VanDerWaalsContact NZ-CD 3.26Å; K261-E269 IonicContact NZ-OE1 2.82Å; K261-E269 PolarHBondContact NZ-OE1 2.94Å; K261-E269 IonicContact NZ-OE2 3.59Å; K261-E269 PolarHBondContact NZ-OE2 3.39Å; T265-E269 PolarHBondContact O-N 3.39Å; E269-R272 CarbonylContact O-C 3.6Å; E269-P273 WeakPolarHBondContact O-CA 3.42Å; E269-K277 IonicContact OE2-NZ 3.72Å; E269-K277 PolarHBondContact OE2-NZ 2.9Å |
| 270 | K | 90.5 | Very high | 87.9 | Confident | 163 Ų | 163 | 109.5 Ų | 109.5 | 71% | 0.709 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.4 | -38.3 | 173.8 | -173.6 | 178.2 | -67.9 | -172.2 | 0 | 112.6 | K266 M267 R268 | K266-K270 PolarHBondContact O-N 3.39Å; K266-K270 VanDerWaalsContact O-N 3.08Å; M267-K270 PolarHBondContact O-N 2.85Å; M267-K270 HydrophobicContact SD-CD 4.49Å; R268-K270 PolarHBondContact O-N 2.92Å |
| 271 | I | 90.2 | Very high | 87.9 | Confident | 124 Ų | 124 | 107.4 Ų | 107.4 | 64% | 0.636 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -81.1 | -34.6 | 178.9 | -59 | 170.2 | 0 | 0 | 0 | 110.8 | M267 R268 | M267-I271 PolarHBondContact O-N 2.99Å; R268-I271 PolarHBondContact O-N 3.39Å |
| 272 | R | 88.4 | Confident | 87.9 | Confident | 202 Ų | 202 | 114.3 Ų | 114.3 | 76% | 0.762 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -128.2 | 81.2 | 179 | -64.7 | -174.2 | -178.9 | -176.3 | -0.1 | 110.1 | R268 E269 | R268-R272 PolarHBondContact O-N 3.13Å; E269-R272 CarbonylContact O-C 3.6Å |
| 273 | P | 88 | Confident | 88 | Confident | 93 Ų | 93 | 116.6 Ų | 116.6 | 60% | 0.604 | 57% | 0.567 | S | S | * | * | trans | -69.5 | 135.1 | -178.1 | 27 | -33.3 | 0 | 0 | 0 | 111 | E269 V275 | E269-P273 WeakPolarHBondContact O-CA 3.42Å; P273-V275 PolarHBondContact O-N 3.44Å | ||
| 274 | K | 84.4 | Confident | 88.1 | Confident | 154 Ų | 154 | 115 Ų | 115 | 67% | 0.67 | 55% | 0.554 | S | S | * | * | trans | -84.2 | 103.7 | 165.3 | -63.7 | -177.3 | 179 | -175.8 | 0 | 107.6 | ||||
| 275 | V | 85.2 | Confident | 88.1 | Confident | 138 Ų | 138 | 109.1 Ų | 109.1 | 84% | 0.836 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -69.3 | 153.7 | 173.3 | -66.8 | 0 | 0 | 0 | 0 | 110.3 | P273 | P273-V275 PolarHBondContact O-N 3.44Š|
| 276 | G | 81 | Confident | 88.3 | Confident | 61 Ų | 61 | 111.1 Ų | 111.1 | 63% | 0.629 | 54% | 0.536 | S | S | * | . | trans | 83.8 | 25.3 | 178 | 0 | 0 | 0 | 0 | 0 | 116.4 | V278 | G276-V278 PolarHBondContact O-N 3.18Š| ||
| 277 | K | 79.5 | Confident | 88.4 | Confident | 90 Ų | 90 | 108.3 Ų | 108.3 | 39% | 0.391 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -62.6 | -29.6 | 176.4 | -69.9 | -174.5 | 179.1 | -179.1 | 0 | 113.5 | V254 D258 E269 | V254-K277 HydrophobicContact CG1-CD 4.21Å; V254-K277 HydrophobicContact CG2-CB 4.11Å; D258-K277 IonicContact OD1-NZ 2.82Å; D258-K277 PolarHBondContact OD1-NZ 3.21Å; D258-K277 IonicContact OD2-NZ 2.96Å; E269-K277 IonicContact OE2-NZ 3.72Å; E269-K277 PolarHBondContact OE2-NZ 2.9Å |
| 278 | V | 83.3 | Confident | 88.6 | Confident | 50 Ų | 50 | 103.4 Ų | 103.4 | 30% | 0.303 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -136.9 | 96.5 | -179.9 | -178 | 0 | 0 | 0 | 0 | 105.4 | I247 M250 V254 G276 I280 | I247-V278 HydrophobicContact CD1-CG1 3.85Å; M250-V278 HydrophobicContact CB-CG1 4.39Å; M250-V278 HydrophobicContact CE-CB 4.48Å; M250-V278 HydrophobicContact CE-CG1 3.55Å; V254-V278 HydrophobicContact CB-CG2 4.38Å; V254-V278 HydrophobicContact CG2-CG2 3.65Å; G276-V278 PolarHBondContact O-N 3.18Å; V278-I280 HydrophobicContact CG1-CD1 4.5Å; V278-I280 HydrophobicContact CG1-CG1 4.49Å |
| 279 | D | 85.2 | Confident | 88.6 | Confident | 124 Ų | 124 | 99.7 Ų | 99.7 | 66% | 0.663 | 49% | 0.491 | S | S | * | . | trans | -112.3 | 115 | 176.8 | -165 | 9.3 | 0 | 0 | 0 | 108.4 | ||||
| 280 | I | 85 | Confident | 88.8 | Confident | 25 Ų | 25 | 105.3 Ų | 105.3 | 13% | 0.128 | 52% | 0.515 | C | S | . | . | trans | -119.9 | 130.3 | 177.8 | -59.6 | 177.2 | 0 | 0 | 0 | 106.6 | I247 M250 V278 Y282 L285 | I247-I280 HydrophobicContact CB-CD1 3.89Å; I247-I280 HydrophobicContact CD1-CD1 3.38Å; I247-I280 HydrophobicContact CG1-CD1 4.16Å; M250-I280 HydrophobicContact CE-CB 4.44Å; M250-I280 HydrophobicContact CE-CD1 3.62Å; M250-I280 HydrophobicContact CE-CG1 3.08Å; V278-I280 HydrophobicContact CG1-CD1 4.5Å; V278-I280 HydrophobicContact CG1-CG1 4.49Å; I280-Y282 PolarHBondContact O-N 3.41Å; I280-L285 HydrophobicContact CB-CD1 4.37Å; I280-L285 HydrophobicContact CB-CG 4.47Å; I280-L285 HydrophobicContact CG2-CD1 4.23Å; I280-L285 HydrophobicContact CG2-CD2 3.94Å; I280-L285 HydrophobicContact CG2-CG 3.79Å | ||
| 281 | D | 91 | Very high | 88.8 | Confident | 92 Ų | 92 | 104.1 Ų | 104.1 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | trans | -53 | 125.8 | 173 | 178.6 | 17.3 | 0 | 0 | 0 | 111.6 | H283 K284 L285 | D281-H283 PolarHBondContact O-N 3.43Å; D281-H283 IonicContact OD1-CD2 2.67Å; D281-H283 PolarHBondContact OD1-N 3.43Å; D281-H283 VanDerWaalsContact OD1-N 3.13Å; D281-K284 HydrophobicContact CB-CB 4.34Å; D281-K284 WeakPolarHBondContact O-CB 3.18Å; D281-K284 PolarHBondContact O-N 3.5Å; D281-L285 PolarHBondContact O-N 2.78Å | ||
| 282 | Y | 91.8 | Very high | 88.9 | Confident | 185 Ų | 185 | 104.4 Ų | 104.4 | 73% | 0.725 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.4 | -34 | -179.9 | -65 | -69.5 | 0 | 0 | 0 | 112 | I280 L285 H286 | I280-Y282 PolarHBondContact O-N 3.41Å; Y282-L285 PolarHBondContact O-N 3.09Å; Y282-H286 WeakPolarHBondContact O-CB 3.48Å; Y282-H286 PolarHBondContact O-N 3.46Å |
| 283 | H | 92.6 | Very high | 89.1 | Confident | 136 Ų | 136 | 99.3 Ų | 99.3 | 63% | 0.63 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.5 | -40 | 177.5 | -71.4 | -72.7 | 0 | 0 | 0 | 111.9 | D281 L285 H286 D287 | D281-H283 PolarHBondContact O-N 3.43Å; D281-H283 IonicContact OD1-CD2 2.67Å; D281-H283 PolarHBondContact OD1-N 3.43Å; D281-H283 VanDerWaalsContact OD1-N 3.13Å; H283-L285 VanDerWaalsContact C-N 3.32Å; H283-L285 PolarHBondContact O-N 3.5Å; H283-H286 WeakPolarHBondContact O-CB 3.46Å; H283-H286 PolarHBondContact O-N 3.01Å; H283-D287 WeakPolarHBondContact O-CB 3.36Å; H283-D287 PolarHBondContact O-N 2.94Å |
| 284 | K | 91.4 | Very high | 89.2 | Confident | 116 Ų | 116 | 98.3 Ų | 98.3 | 50% | 0.504 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.8 | -39 | 175.3 | -176.4 | 176.1 | -70.9 | -176.4 | 0 | 112.1 | D281 A288 | D281-K284 HydrophobicContact CB-CB 4.34Å; D281-K284 WeakPolarHBondContact O-CB 3.18Å; D281-K284 PolarHBondContact O-N 3.5Å; K284-A288 WeakPolarHBondContact O-CB 3.32Å; K284-A288 PolarHBondContact O-N 3.3Å; K284-A288 VanDerWaalsContact O-N 3.08Å |
| 285 | L | 92.2 | Very high | 89.5 | Confident | 56 Ų | 56 | 100.7 Ų | 100.7 | 29% | 0.293 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.8 | -44.7 | 175.4 | -67.5 | 178.2 | 0 | 0 | 0 | 111.2 | T245 I280 D281 Y282 H283 D287 A288 F289 | T245-L285 HydrophobicContact CG2-CD2 4.02Å; I280-L285 HydrophobicContact CB-CD1 4.37Å; I280-L285 HydrophobicContact CB-CG 4.47Å; I280-L285 HydrophobicContact CG2-CD1 4.23Å; I280-L285 HydrophobicContact CG2-CD2 3.94Å; I280-L285 HydrophobicContact CG2-CG 3.79Å; D281-L285 PolarHBondContact O-N 2.78Å; Y282-L285 PolarHBondContact O-N 3.09Å; H283-L285 VanDerWaalsContact C-N 3.32Å; H283-L285 PolarHBondContact O-N 3.5Å; L285-D287 PolarHBondContact O-N 3.19Å; L285-A288 PolarHBondContact O-N 3.46Å; L285-F289 VanDerWaalsContact O-CD2 3.29Å; L285-F289 WeakPolarHBondContact O-CD2 3.39Å; L285-F289 PolarHBondContact O-N 3.29Å |
| 286 | H | 94 | Very high | 89.8 | Confident | 98 Ų | 98 | 98.4 Ų | 98.4 | 45% | 0.454 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -55.9 | -52.6 | 175.9 | -177.5 | -86.9 | 0 | 0 | 0 | 111 | Y282 H283 A288 F289 F290 | Y282-H286 WeakPolarHBondContact O-CB 3.48Å; Y282-H286 PolarHBondContact O-N 3.46Å; H283-H286 WeakPolarHBondContact O-CB 3.46Å; H283-H286 PolarHBondContact O-N 3.01Å; H286-A288 VanDerWaalsContact C-N 3.28Å; H286-A288 PolarHBondContact O-N 3.22Å; H286-F289 PolarHBondContact O-N 3.45Å; H286-F289 VanDerWaalsContact O-N 3.11Å; H286-F290 AromaticContact CD2-CD2 3.53Å; H286-F290 AromaticContact CD2-CE2 3.63Å; H286-F290 AromaticContact CE1-CD2 3.73Å; H286-F290 AromaticContact CG-CD2 3.88Å; H286-F290 AromaticContact ND1-CD2 4Å; H286-F290 AromaticContact NE2-CD2 3.44Å; H286-F290 WeakPolarHBondContact NE2-CD2 3.26Å; H286-F290 AromaticContact NE2-CE2 3.67Å; H286-F290 VanDerWaalsContact O-CD2 3.29Å; H286-F290 WeakPolarHBondContact O-CD2 3.35Å; H286-F290 PolarHBondContact O-N 3.46Å |
| 287 | D | 93.8 | Very high | 90.2 | Very high | 37 Ų | 37 | 104 Ų | 104 | 20% | 0.198 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -64.5 | -31.7 | -178.7 | -76.1 | 4.7 | 0 | 0 | 0 | 112.6 | H283 L285 F289 K291 Y292 | H283-D287 WeakPolarHBondContact O-CB 3.36Å; H283-D287 PolarHBondContact O-N 2.94Å; L285-D287 PolarHBondContact O-N 3.19Å; D287-F289 PolarHBondContact O-N 3.43Å; D287-K291 HydrophobicContact CB-CD 4.1Å; D287-K291 HydrophobicContact CB-CG 4.39Å; D287-K291 WeakPolarHBondContact O-CA 3.49Å; D287-K291 WeakPolarHBondContact O-CB 3.39Å; D287-K291 PolarHBondContact O-N 3.31Å; D287-K291 VanDerWaalsContact OD1-CE 3.22Å; D287-K291 WeakPolarHBondContact OD1-CE 3.23Å; D287-K291 IonicContact OD1-NZ 3.96Å; D287-K291 PolarHBondContact OD1-NZ 3.11Å; D287-K291 IonicContact OD2-NZ 3.6Å; D287-K291 PolarHBondContact OD2-NZ 3.18Å; D287-Y292 HydrophobicContact CB-CD2 4.39Å; D287-Y292 HydrophobicContact CB-CE2 4.14Å; D287-Y292 WeakPolarHBondContact O-CD2 3.47Å; D287-Y292 PolarHBondContact O-N 3.24Å |
| 288 | A | 92.5 | Very high | 90.7 | Very high | 4 Ų | 4 | 107.2 Ų | 107.2 | 3% | 0.033 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -64.5 | -36.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | F241 T245 K284 L285 H286 | F241-A288 WeakPolarHBondContact CD2-O 3.38Å; T245-A288 HydrophobicContact CG2-CB 3.55Å; K284-A288 WeakPolarHBondContact O-CB 3.32Å; K284-A288 PolarHBondContact O-N 3.3Å; K284-A288 VanDerWaalsContact O-N 3.08Å; L285-A288 PolarHBondContact O-N 3.46Å; H286-A288 VanDerWaalsContact C-N 3.28Å; H286-A288 PolarHBondContact O-N 3.22Å |
| 289 | F | 92.9 | Very high | 91.1 | Very high | 111 Ų | 111 | 108.1 Ų | 108.1 | 49% | 0.487 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -89.5 | -26.6 | -179.1 | -78.5 | -77.3 | 0 | 0 | 0 | 114.1 | I242 L285 H286 D287 Q293 | I242-F289 HydrophobicContact CD1-CE1 4.31Å; I242-F289 HydrophobicContact CD1-CZ 4.33Å; L285-F289 VanDerWaalsContact O-CD2 3.29Å; L285-F289 WeakPolarHBondContact O-CD2 3.39Å; L285-F289 PolarHBondContact O-N 3.29Å; H286-F289 PolarHBondContact O-N 3.45Å; H286-F289 VanDerWaalsContact O-N 3.11Å; D287-F289 PolarHBondContact O-N 3.43Å; F289-Q293 WeakPolarHBondContact O-CB 3.3Å |
| 290 | F | 91.4 | Very high | 91.4 | Very high | 152 Ų | 152 | 109 Ų | 109 | 67% | 0.667 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -104.3 | -46.8 | -177 | -69.5 | -79.7 | 0 | 0 | 0 | 113 | H286 | H286-F290 AromaticContact CD2-CD2 3.53Å; H286-F290 AromaticContact CD2-CE2 3.63Å; H286-F290 AromaticContact CE1-CD2 3.73Å; H286-F290 AromaticContact CG-CD2 3.88Å; H286-F290 AromaticContact ND1-CD2 4Å; H286-F290 AromaticContact NE2-CD2 3.44Å; H286-F290 WeakPolarHBondContact NE2-CD2 3.26Å; H286-F290 AromaticContact NE2-CE2 3.67Å; H286-F290 VanDerWaalsContact O-CD2 3.29Å; H286-F290 WeakPolarHBondContact O-CD2 3.35Å; H286-F290 PolarHBondContact O-N 3.46Å |
| 291 | K | 90.5 | Very high | 91.8 | Very high | 138 Ų | 138 | 113.9 Ų | 113.9 | 60% | 0.6 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -45.4 | -177.2 | -60.2 | -175.2 | -174.8 | 163.5 | 0 | 112.7 | D287 | D287-K291 HydrophobicContact CB-CD 4.1Å; D287-K291 HydrophobicContact CB-CG 4.39Å; D287-K291 WeakPolarHBondContact O-CA 3.49Å; D287-K291 WeakPolarHBondContact O-CB 3.39Å; D287-K291 PolarHBondContact O-N 3.31Å; D287-K291 VanDerWaalsContact OD1-CE 3.22Å; D287-K291 WeakPolarHBondContact OD1-CE 3.23Å; D287-K291 IonicContact OD1-NZ 3.96Å; D287-K291 PolarHBondContact OD1-NZ 3.11Å; D287-K291 IonicContact OD2-NZ 3.6Å; D287-K291 PolarHBondContact OD2-NZ 3.18Å |
| 292 | Y | 92.3 | Very high | 91.8 | Very high | 130 Ų | 130 | 111.3 Ų | 111.3 | 51% | 0.51 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -99.7 | 12.2 | -171.3 | -56.3 | -58.1 | 0 | 0 | 0 | 114.7 | F241 D287 T294 | F241-Y292 WeakPolarHBondContact CB-O 3.29Å; D287-Y292 HydrophobicContact CB-CD2 4.39Å; D287-Y292 HydrophobicContact CB-CE2 4.14Å; D287-Y292 WeakPolarHBondContact O-CD2 3.47Å; D287-Y292 PolarHBondContact O-N 3.24Å; Y292-T294 PolarHBondContact O-N 2.91Å |
| 293 | Q | 92.4 | Very high | 91.8 | Very high | 95 Ų | 95 | 105.9 Ų | 105.9 | 44% | 0.444 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 118.3 | -178.7 | -179.9 | 63.5 | 48.9 | 0 | 0 | 111.1 | F289 | F289-Q293 WeakPolarHBondContact O-CB 3.3Š|
| 294 | T | 90.4 | Very high | 91.8 | Very high | 72 Ų | 72 | 102.6 Ų | 102.6 | 44% | 0.442 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -100.8 | 141.5 | 176.5 | 61.3 | 0 | 0 | 0 | 0 | 111.6 | F241 Y292 | F241-T294 HydrophobicContact CD1-CG2 4.45Å; F241-T294 VanDerWaalsContact CD1-OG1 3.28Å; F241-T294 WeakPolarHBondContact CD1-OG1 3.24Å; F241-T294 WeakPolarHBondContact CE1-OG1 3.47Å; Y292-T294 PolarHBondContact O-N 2.91Å |
| 295 | K | 91.9 | Very high | 91.9 | Very high | 204 Ų | 204 | 102.1 Ų | 102.1 | 89% | 0.887 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 125.4 | 176.6 | -69.5 | 178.7 | -178.9 | 171.6 | 0 | 109.6 | ||
| 296 | P | 91.5 | Very high | 91.9 | Very high | 91 Ų | 91 | 103.3 Ų | 103.3 | 59% | 0.591 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 160.7 | 178.4 | 29.2 | -34.7 | 0 | 0 | 0 | 111.7 | L298 | P296-L298 HydrophobicContact CG-CD2 4.06Å; P296-L298 PolarHBondContact O-N 3Å |
| 297 | K | 88.8 | Confident | 91.7 | Very high | 179 Ų | 179 | 102 Ų | 102 | 78% | 0.778 | 50% | 0.497 | S | S | * | . | trans | -68.1 | 101.7 | 171.5 | -67 | -173.9 | 179.6 | -175.9 | 0 | 109.5 | ||||
| 298 | L | 90.7 | Very high | 91.3 | Very high | 156 Ų | 156 | 101.2 Ų | 101.2 | 82% | 0.817 | 50% | 0.499 | S | S | * | . | trans | -82.1 | 164.3 | 178.2 | -60.9 | 177.2 | 0 | 0 | 0 | 111.9 | P296 | P296-L298 HydrophobicContact CG-CD2 4.06Å; P296-L298 PolarHBondContact O-N 3Å | ||
| 299 | S | 90.4 | Very high | 91.2 | Very high | 70 Ų | 70 | 103.2 Ų | 103.2 | 49% | 0.49 | 51% | 0.507 | S | S | . | . | trans | -109.6 | 145.1 | 174.8 | 173.4 | 0 | 0 | 0 | 0 | 108.9 | D303 | S299-D303 VanDerWaalsContact OG-CB 3.24Å; S299-D303 WeakPolarHBondContact OG-CB 3.24Å; S299-D303 VanDerWaalsContact OG-CG 3.28Å; S299-D303 PolarHBondContact OG-OD2 3.21Å | ||
| 300 | I | 92.7 | Very high | 90.9 | Very high | 141 Ų | 141 | 102.5 Ų | 102.5 | 72% | 0.723 | 51% | 0.505 | S | S | * | . | trans | -79.5 | 160.5 | -179.7 | 60.5 | 169.7 | 0 | 0 | 0 | 111.4 | G302 D303 | I300-G302 PolarHBondContact O-N 3Å; I300-D303 HydrophobicContact CG1-CB 4.04Å; I300-D303 WeakPolarHBondContact O-CB 3.21Å; I300-D303 PolarHBondContact O-N 3.32Å; I300-D303 VanDerWaalsContact O-N 3.17Å | ||
| 301 | H | 93.2 | Very high | 90.5 | Very high | 128 Ų | 128 | 100.4 Ų | 100.4 | 59% | 0.593 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 135.2 | 167.4 | 143 | -92.6 | 0 | 0 | 0 | 109.9 | N210 | N210-H301 PolarHBondContact O-CE1 3Å; N210-H301 PolarHBondContact O-NE2 3.17Å; N210-H301 VanDerWaalsContact O-NE2 3.09Å |
| 302 | G | 91.3 | Very high | 90.3 | Very high | 39 Ų | 39 | 99.7 Ų | 99.7 | 40% | 0.402 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.7 | -14.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | I300 L304 | I300-G302 PolarHBondContact O-N 3Å; G302-L304 PolarHBondContact O-N 2.88Å; G302-L304 VanDerWaalsContact O-N 3.11Å |
| 303 | D | 91.7 | Very high | 89.7 | Confident | 70 Ų | 70 | 98.5 Ų | 98.5 | 37% | 0.374 | 50% | 0.501 | S | S | . | . | trans | -85.9 | 82.2 | 177.9 | 179.7 | 32.4 | 0 | 0 | 0 | 112 | S299 I300 K309 | S299-D303 VanDerWaalsContact OG-CB 3.24Å; S299-D303 WeakPolarHBondContact OG-CB 3.24Å; S299-D303 VanDerWaalsContact OG-CG 3.28Å; S299-D303 PolarHBondContact OG-OD2 3.21Å; I300-D303 HydrophobicContact CG1-CB 4.04Å; I300-D303 WeakPolarHBondContact O-CB 3.21Å; I300-D303 PolarHBondContact O-N 3.32Å; I300-D303 VanDerWaalsContact O-N 3.17Å; D303-K309 PolarHBondContact O-NZ 2.74Å; D303-K309 WeakPolarHBondContact OD1-CE 3.36Å; D303-K309 IonicContact OD1-NZ 3.68Å; D303-K309 PolarHBondContact OD1-NZ 2.99Å; D303-K309 WeakPolarHBondContact OD2-CE 3.35Å; D303-K309 IonicContact OD2-NZ 3.94Å; D303-K309 PolarHBondContact OD2-NZ 2.99Å | ||
| 304 | L | 92.1 | Very high | 88.9 | Confident | 67 Ų | 67 | 101.3 Ų | 101.3 | 35% | 0.351 | 51% | 0.511 | S | S | . | . | trans | -70.1 | 150.1 | -179.7 | -67.5 | 176.7 | 0 | 0 | 0 | 113 | V212 P213 P215 G302 K309 | V212-L304 HydrophobicContact CG1-CD1 3.59Å; V212-L304 HydrophobicContact CG1-CD2 3.87Å; V212-L304 HydrophobicContact CG1-CG 3.67Å; P213-L304 VanDerWaalsContact O-CD1 3.28Å; P213-L304 WeakPolarHBondContact O-CD1 3.46Å; P215-L304 HydrophobicContact CG-CD1 4.12Å; G302-L304 PolarHBondContact O-N 2.88Å; G302-L304 VanDerWaalsContact O-N 3.11Å; L304-K309 WeakPolarHBondContact O-CD 3.39Å; L304-K309 PolarHBondContact O-NZ 3.3Å | ||
| 305 | Y | 93.5 | Very high | 88.3 | Confident | 106 Ų | 106 | 104.2 Ų | 104.2 | 42% | 0.416 | 52% | 0.524 | S | S | . | . | trans | -80.1 | 137.5 | 169.9 | -176.4 | -109.4 | 0 | 0 | 0 | 111.1 | Y224 L225 K309 E310 | Y224-Y305 HydrophobicContact CE1-CD1 4.31Å; Y224-Y305 HydrophobicContact CE1-CE1 4.5Å; Y224-Y305 VanDerWaalsContact OH-C 3.25Å; Y224-Y305 WeakPolarHBondContact OH-CD1 3.05Å; Y224-Y305 PolarHBondContact OH-O 3.08Å; L225-Y305 HydrophobicContact CD2-CE1 4.14Å; Y305-K309 HydrophobicContact CD2-CB 4.12Å; Y305-K309 HydrophobicContact CD2-CD 4.02Å; Y305-K309 HydrophobicContact CE2-CB 4.13Å; Y305-E310 WeakPolarHBondContact CE2-OE2 3.31Å; Y305-E310 PolarHBondContact OH-OE1 3Å; Y305-E310 PolarHBondContact OH-OE2 3.32Å | ||
| 306 | Y | 91.5 | Very high | 87.6 | Confident | 81 Ų | 81 | 104 Ų | 104 | 32% | 0.318 | 52% | 0.522 | S | S | . | . | trans | -137.7 | 156.3 | 170.2 | 51.5 | -88.5 | 0 | 0 | 0 | 109.7 | G308 K309 E312 | Y306-G308 PolarHBondContact O-N 3.03Å; Y306-G308 VanDerWaalsContact O-N 3.1Å; Y306-K309 HydrophobicContact CD1-CB 4.22Å; Y306-K309 HydrophobicContact CD1-CD 4.28Å; Y306-K309 HydrophobicContact CD2-CB 3.97Å; Y306-K309 HydrophobicContact CE1-CB 4.08Å; Y306-K309 HydrophobicContact CE1-CD 4.04Å; Y306-K309 HydrophobicContact CE1-CG 4.07Å; Y306-K309 HydrophobicContact CE2-CB 3.82Å; Y306-K309 HydrophobicContact CE2-CG 4.47Å; Y306-K309 HydrophobicContact CG-CB 4.17Å; Y306-K309 VanDerWaalsContact O-CB 3.26Å; Y306-K309 WeakPolarHBondContact O-CB 3.33Å; Y306-K309 PolarHBondContact O-N 3.16Å; Y306-E312 PolarHBondContact OH-OE2 2.79Å | ||
| 307 | E | 89.3 | Confident | 86.8 | Confident | 70 Ų | 70 | 106.9 Ų | 106.9 | 33% | 0.327 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 116.8 | 175.7 | -175.1 | 173.4 | -146.7 | 0 | 0 | 110 | G227 K228 | G227-E307 WeakPolarHBondContact CA-OE1 3.46Å; G227-E307 PolarHBondContact N-OE1 3.44Å; K228-E307 HydrophobicContact CD-CG 4.44Å; K228-E307 HydrophobicContact CG-CG 4.21Å; K228-E307 PolarHBondContact N-OE1 3.48Å |
| 308 | G | 86.9 | Confident | 86.7 | Confident | 22 Ų | 22 | 106 Ų | 106 | 23% | 0.227 | 52% | 0.524 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 100.5 | -3.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y306 E310 F311 | Y306-G308 PolarHBondContact O-N 3.03Å; Y306-G308 VanDerWaalsContact O-N 3.1Å; G308-E310 PolarHBondContact O-N 3.42Å; G308-F311 PolarHBondContact O-N 2.62Å |
| 309 | K | 90 | Very high | 86.6 | Confident | 46 Ų | 46 | 105.9 Ų | 105.9 | 20% | 0.2 | 52% | 0.517 | C | S | . | . | G | 310 helix | trans | -56.4 | -35.6 | 176.6 | -178.2 | 174 | 176.5 | -179.6 | 0 | 113 | D303 L304 Y305 Y306 F311 E312 | D303-K309 PolarHBondContact O-NZ 2.74Å; D303-K309 WeakPolarHBondContact OD1-CE 3.36Å; D303-K309 IonicContact OD1-NZ 3.68Å; D303-K309 PolarHBondContact OD1-NZ 2.99Å; D303-K309 WeakPolarHBondContact OD2-CE 3.35Å; D303-K309 IonicContact OD2-NZ 3.94Å; D303-K309 PolarHBondContact OD2-NZ 2.99Å; L304-K309 WeakPolarHBondContact O-CD 3.39Å; L304-K309 PolarHBondContact O-NZ 3.3Å; Y305-K309 HydrophobicContact CD2-CB 4.12Å; Y305-K309 HydrophobicContact CD2-CD 4.02Å; Y305-K309 HydrophobicContact CE2-CB 4.13Å; Y306-K309 HydrophobicContact CD1-CB 4.22Å; Y306-K309 HydrophobicContact CD1-CD 4.28Å; Y306-K309 HydrophobicContact CD2-CB 3.97Å; Y306-K309 HydrophobicContact CE1-CB 4.08Å; Y306-K309 HydrophobicContact CE1-CD 4.04Å; Y306-K309 HydrophobicContact CE1-CG 4.07Å; Y306-K309 HydrophobicContact CE2-CB 3.82Å; Y306-K309 HydrophobicContact CE2-CG 4.47Å; Y306-K309 HydrophobicContact CG-CB 4.17Å; Y306-K309 VanDerWaalsContact O-CB 3.26Å; Y306-K309 WeakPolarHBondContact O-CB 3.33Å; Y306-K309 PolarHBondContact O-N 3.16Å; K309-F311 PolarHBondContact O-N 3.1Å; K309-E312 PolarHBondContact O-N 2.88Å |
| 310 | E | 85.6 | Confident | 86.4 | Confident | 96 Ų | 96 | 105.7 Ų | 105.7 | 45% | 0.449 | 51% | 0.514 | S | S | . | . | G | 310 helix | trans | -70.9 | -14.9 | 179 | 64.6 | -93.3 | -143.6 | 0 | 0 | 114.5 | K228 Y305 G308 | K228-E310 WeakPolarHBondContact CE-OE1 3.44Å; K228-E310 IonicContact NZ-OE1 2.95Å; K228-E310 PolarHBondContact NZ-OE1 3.09Å; K228-E310 IonicContact NZ-OE2 2.68Å; Y305-E310 WeakPolarHBondContact CE2-OE2 3.31Å; Y305-E310 PolarHBondContact OH-OE1 3Å; Y305-E310 PolarHBondContact OH-OE2 3.32Å; G308-E310 PolarHBondContact O-N 3.42Å |
| 311 | F | 84.2 | Confident | 86.1 | Confident | 107 Ų | 107 | 101.8 Ų | 101.8 | 47% | 0.469 | 51% | 0.509 | S | S | . | . | G | 310 helix | trans | -94.3 | -6.2 | 177.9 | -56.7 | -48.6 | 0 | 0 | 0 | 112.9 | F231 G308 K309 V313 | F231-F311 HydrophobicContact CD1-CE1 4.49Å; F231-F311 AromaticContact CD1-CZ 3.82Å; F231-F311 HydrophobicContact CD1-CZ 3.82Å; F231-F311 HydrophobicContact CD2-CE1 4.21Å; F231-F311 HydrophobicContact CD2-CE2 4.46Å; F231-F311 AromaticContact CD2-CZ 3.6Å; F231-F311 HydrophobicContact CD2-CZ 3.6Å; F231-F311 AromaticContact CE1-CE1 3.81Å; F231-F311 HydrophobicContact CE1-CE1 3.81Å; F231-F311 AromaticContact CE1-CZ 3.59Å; F231-F311 HydrophobicContact CE1-CZ 3.59Å; F231-F311 AromaticContact CE2-CE1 3.49Å; F231-F311 HydrophobicContact CE2-CE1 3.49Å; F231-F311 VanDerWaalsContact CE2-CE1 3.49Å; F231-F311 HydrophobicContact CE2-CE2 4.49Å; F231-F311 AromaticContact CE2-CZ 3.36Å; F231-F311 HydrophobicContact CE2-CZ 3.36Å; F231-F311 AromaticContact CG-CZ 3.84Å; F231-F311 HydrophobicContact CG-CZ 3.84Å; F231-F311 AromaticContact CZ-CE1 3.27Å; F231-F311 HydrophobicContact CZ-CE1 3.27Å; F231-F311 AromaticContact CZ-CZ 3.37Å; F231-F311 HydrophobicContact CZ-CZ 3.37Å; G308-F311 PolarHBondContact O-N 2.62Å; K309-F311 PolarHBondContact O-N 3.1Å; F311-V313 PolarHBondContact O-N 3.32Å |
| 312 | E | 85.4 | Confident | 85.7 | Confident | 123 Ų | 123 | 102.2 Ų | 102.2 | 58% | 0.575 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -77.5 | 116.8 | 179.9 | -165.1 | 167.5 | 162.4 | 0 | 0 | 110.2 | Y306 K309 K314 | Y306-E312 PolarHBondContact OH-OE2 2.79Å; K309-E312 PolarHBondContact O-N 2.88Å; E312-K314 PolarHBondContact O-N 3.03Å |
| 313 | V | 79.9 | Confident | 85.5 | Confident | 106 Ų | 106 | 101.8 Ų | 101.8 | 64% | 0.642 | 50% | 0.504 | S | S | * | . | trans | -71.7 | 122.3 | -178.8 | -179.4 | 0 | 0 | 0 | 0 | 109.5 | F311 L315 | F311-V313 PolarHBondContact O-N 3.32Å; V313-L315 PolarHBondContact O-N 2.9Å | ||
| 314 | K | 76.4 | Confident | 85.4 | Confident | 153 Ų | 153 | 101.7 Ų | 101.7 | 67% | 0.665 | 51% | 0.508 | S | S | * | . | trans | -74.1 | 113.6 | 175.2 | -66.2 | -179.2 | -179.4 | 179.3 | 0 | 110 | E312 K316 | E312-K314 PolarHBondContact O-N 3.03Å; K314-K316 VanDerWaalsContact C-N 3.32Å; K314-K316 PolarHBondContact O-N 3.4Å | ||
| 315 | L | 76.9 | Confident | 85.3 | Confident | 134 Ų | 134 | 102.7 Ų | 102.7 | 70% | 0.702 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -77.1 | -13.2 | -178.6 | -68.7 | 162.4 | 0 | 0 | 0 | 114.3 | V313 E317 K318 | V313-L315 PolarHBondContact O-N 2.9Å; L315-E317 PolarHBondContact O-N 3.43Å; L315-E317 VanDerWaalsContact O-N 3.14Å; L315-K318 PolarHBondContact O-N 3.43Å |
| 316 | K | 77.2 | Confident | 85.3 | Confident | 198 Ų | 198 | 105.3 Ų | 105.3 | 86% | 0.861 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -60.5 | -27.8 | -170.8 | -68.6 | -171 | 175.5 | -171.3 | 0 | 114.7 | K314 K318 | K314-K316 VanDerWaalsContact C-N 3.32Å; K314-K316 PolarHBondContact O-N 3.4Å; K316-K318 VanDerWaalsContact C-N 3.31Å; K316-K318 PolarHBondContact O-N 2.88Å |
| 317 | E | 76 | Confident | 85.2 | Confident | 152 Ų | 152 | 105.2 Ų | 105.2 | 71% | 0.71 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -80 | -12.8 | -175 | -64 | 175.6 | -176.4 | 0 | 0 | 112.7 | L315 | L315-E317 PolarHBondContact O-N 3.43Å; L315-E317 VanDerWaalsContact O-N 3.14Å |
| 318 | K | 86.2 | Confident | 85.3 | Confident | 160 Ų | 160 | 103.1 Ų | 103.1 | 70% | 0.696 | 52% | 0.524 | S | S | * | . | trans | -103.7 | 112.6 | -175.2 | -59.5 | -177.6 | -178.3 | -173.6 | 0 | 110.5 | L315 K316 | L315-K318 PolarHBondContact O-N 3.43Å; K316-K318 VanDerWaalsContact C-N 3.31Å; K316-K318 PolarHBondContact O-N 2.88Å | ||
| 319 | K | 87.6 | Confident | 85.5 | Confident | 154 Ų | 154 | 106.8 Ų | 106.8 | 67% | 0.67 | 54% | 0.538 | S | S | * | . | trans | -109.2 | 144.7 | 177.6 | -65.9 | -174.8 | 179.5 | -177.2 | 0 | 111.3 | N322 | K319-N322 PolarHBondContact O-N 2.96Š| ||
| 320 | P | 87.7 | Confident | 85.6 | Confident | 66 Ų | 66 | 108.7 Ų | 108.7 | 43% | 0.429 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.5 | 143.9 | 173.6 | 27.9 | -34.8 | 0 | 0 | 0 | 110.8 | Y359 L362 | P320-Y359 HydrophobicContact CB-CE2 4.31Å; P320-Y359 HydrophobicContact CG-CD1 4.27Å; P320-Y359 HydrophobicContact CG-CE1 3.92Å; P320-Y359 HydrophobicContact CG-CE2 4.44Å; P320-L362 HydrophobicContact CB-CD1 4.49Å; P320-L362 HydrophobicContact CB-CD2 4.48Å |
| 321 | G | 85.1 | Confident | 85.8 | Confident | 60 Ų | 60 | 107.9 Ų | 107.9 | 62% | 0.619 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 96.8 | -31.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 322 | N | 86.1 | Confident | 86 | Confident | 136 Ų | 136 | 106 Ų | 106 | 73% | 0.727 | 57% | 0.572 | S | S | * | * | trans | -101.4 | 134.1 | 179.5 | -66.3 | -1.8 | 0 | 0 | 0 | 110.9 | K319 | K319-N322 PolarHBondContact O-N 2.96Š| ||
| 323 | M | 86 | Confident | 86.1 | Confident | 31 Ų | 31 | 101.4 Ų | 101.4 | 15% | 0.153 | 55% | 0.551 | C | S | . | * | trans | -121.9 | 126.5 | 176 | -60.9 | -174.2 | -60.3 | 0 | 0 | 109.5 | L327 R328 L331 L333 P344 W346 | M323-L327 HydrophobicContact CB-CD2 4.44Å; M323-L327 HydrophobicContact CG-CD2 4.49Å; M323-R328 HydrophobicContact CB-CG 3.98Å; M323-R328 HydrophobicContact CE-CG 4.25Å; M323-R328 PolarHBondContact O-NE 2.65Å; M323-R328 VanDerWaalsContact O-NE 3.12Å; M323-L331 HydrophobicContact SD-CD1 4.21Å; M323-L333 HydrophobicContact CE-CD1 3.72Å; M323-L333 HydrophobicContact SD-CD1 4.41Å; M323-P344 HydrophobicContact CE-CB 4.31Å; M323-P344 HydrophobicContact SD-CB 4.46Å; M323-W346 HydrophobicContact SD-CH2 3.65Å; M323-W346 HydrophobicContact SD-CZ2 3.95Å | ||
| 324 | S | 90.3 | Very high | 86.4 | Confident | 67 Ų | 67 | 99.2 Ų | 99.2 | 47% | 0.469 | 54% | 0.539 | S | S | . | . | trans | -63.4 | 150.2 | 174 | 50.7 | 0 | 0 | 0 | 0 | 111.5 | E326 L327 R328 | S324-E326 VanDerWaalsContact C-N 3.26Å; S324-E326 PolarHBondContact O-N 3.22Å; S324-L327 WeakPolarHBondContact O-CA 3.32Å; S324-L327 WeakPolarHBondContact O-CB 3.33Å; S324-L327 PolarHBondContact O-N 3.15Å; S324-L327 WeakPolarHBondContact OG-CB 3.41Å; S324-R328 PolarHBondContact O-N 3.12Å | ||
| 325 | D | 90.6 | Very high | 86.8 | Confident | 88 Ų | 88 | 94.4 Ų | 94.4 | 47% | 0.471 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.3 | -37.6 | 179.2 | -68.6 | -38.5 | 0 | 0 | 0 | 112.9 | L327 R328 N329 G336 | D325-L327 VanDerWaalsContact C-N 3.31Å; D325-L327 PolarHBondContact O-N 3.45Å; D325-R328 PolarHBondContact O-N 3.34Å; D325-N329 WeakPolarHBondContact O-CB 3.29Å; D325-N329 PolarHBondContact O-N 3.3Å; D325-N329 PolarHBondContact O-ND2 3.19Å; D325-G336 PolarHBondContact OD1-N 3.46Å |
| 326 | E | 91.6 | Very high | 87 | Confident | 162 Ų | 162 | 89.9 Ų | 89.9 | 76% | 0.757 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -57.5 | -43.9 | 173.4 | -175.7 | -177.9 | -171.4 | 0 | 0 | 111.9 | S324 N329 A330 | S324-E326 VanDerWaalsContact C-N 3.26Å; S324-E326 PolarHBondContact O-N 3.22Å; E326-N329 PolarHBondContact O-N 3.36Å; E326-A330 WeakPolarHBondContact O-CB 3.44Å; E326-A330 PolarHBondContact O-N 3.21Å |
| 327 | L | 90.7 | Very high | 87 | Confident | 79 Ų | 79 | 87.3 Ų | 87.3 | 41% | 0.414 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71 | -37.7 | 179.1 | -179.7 | 61.5 | 0 | 0 | 0 | 111.3 | M323 S324 D325 A330 L331 | M323-L327 HydrophobicContact CB-CD2 4.44Å; M323-L327 HydrophobicContact CG-CD2 4.49Å; S324-L327 WeakPolarHBondContact O-CA 3.32Å; S324-L327 WeakPolarHBondContact O-CB 3.33Å; S324-L327 PolarHBondContact O-N 3.15Å; S324-L327 WeakPolarHBondContact OG-CB 3.41Å; D325-L327 VanDerWaalsContact C-N 3.31Å; D325-L327 PolarHBondContact O-N 3.45Å; L327-A330 PolarHBondContact O-N 3.17Å; L327-L331 HydrophobicContact CD1-CD1 4.16Å; L327-L331 HydrophobicContact CD1-CG 4.21Å; L327-L331 HydrophobicContact CG-CD1 3.96Å; L327-L331 HydrophobicContact CG-CG 4.44Å; L327-L331 WeakPolarHBondContact O-CB 3.49Å; L327-L331 VanDerWaalsContact O-CG 3.25Å; L327-L331 WeakPolarHBondContact O-CG 3.44Å; L327-L331 PolarHBondContact O-N 3.38Å |
| 328 | R | 90.5 | Very high | 87 | Confident | 26 Ų | 26 | 81.7 Ų | 81.7 | 10% | 0.098 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -61.5 | -46.5 | 175.4 | -70.4 | 176.5 | 178.3 | -88.6 | 5.1 | 110.9 | M323 S324 D325 A330 L331 G332 L333 A339 | M323-R328 HydrophobicContact CB-CG 3.98Å; M323-R328 HydrophobicContact CE-CG 4.25Å; M323-R328 PolarHBondContact O-NE 2.65Å; M323-R328 VanDerWaalsContact O-NE 3.12Å; S324-R328 PolarHBondContact O-N 3.12Å; D325-R328 PolarHBondContact O-N 3.34Å; R328-A330 PolarHBondContact O-N 2.95Å; R328-L331 CarbonylContact O-C 3.31Å; R328-L331 PolarHBondContact O-N 3.33Å; R328-L331 VanDerWaalsContact O-N 3.16Å; R328-G332 PolarHBondContact O-N 3.16Å; R328-G332 VanDerWaalsContact O-N 3.09Å; R328-L333 CarbonylContact C-O 3.56Å; R328-L333 HydrophobicContact CB-CB 4.18Å; R328-L333 PolarHBondContact O-N 3.24Å; R328-A339 PolarHBondContact NH1-O 3.44Å |
| 329 | N | 91.6 | Very high | 86.7 | Confident | 98 Ų | 98 | 74.5 Ų | 74.5 | 52% | 0.524 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.1 | -43 | 175.8 | -71.7 | -22.9 | 0 | 0 | 0 | 112 | D325 E326 L331 G332 S335 | D325-N329 WeakPolarHBondContact O-CB 3.29Å; D325-N329 PolarHBondContact O-N 3.3Å; D325-N329 PolarHBondContact O-ND2 3.19Å; E326-N329 PolarHBondContact O-N 3.36Å; N329-L331 VanDerWaalsContact C-N 3.29Å; N329-L331 PolarHBondContact O-N 2.82Å; N329-G332 PolarHBondContact O-N 2.68Å; N329-G332 VanDerWaalsContact O-N 3.1Å; N329-S335 VanDerWaalsContact OD1-CB 3.31Å; N329-S335 WeakPolarHBondContact OD1-CB 3.5Å; N329-S335 PolarHBondContact OD1-OG 3.02Å |
| 330 | A | 92.7 | Very high | 86.2 | Confident | 86 Ų | 86 | 74 Ų | 74 | 71% | 0.711 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.2 | -34.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | E326 L327 R328 G332 | E326-A330 WeakPolarHBondContact O-CB 3.44Å; E326-A330 PolarHBondContact O-N 3.21Å; L327-A330 PolarHBondContact O-N 3.17Å; R328-A330 PolarHBondContact O-N 2.95Å; A330-G332 VanDerWaalsContact C-N 3.27Å |
| 331 | L | 89 | Confident | 85.8 | Confident | 79 Ų | 79 | 77.6 Ų | 77.6 | 41% | 0.414 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -4.3 | 175.9 | -69.2 | 172 | 0 | 0 | 0 | 113.5 | M323 L327 R328 N329 L333 W346 | M323-L331 HydrophobicContact SD-CD1 4.21Å; L327-L331 HydrophobicContact CD1-CD1 4.16Å; L327-L331 HydrophobicContact CD1-CG 4.21Å; L327-L331 HydrophobicContact CG-CD1 3.96Å; L327-L331 HydrophobicContact CG-CG 4.44Å; L327-L331 WeakPolarHBondContact O-CB 3.49Å; L327-L331 VanDerWaalsContact O-CG 3.25Å; L327-L331 WeakPolarHBondContact O-CG 3.44Å; L327-L331 PolarHBondContact O-N 3.38Å; R328-L331 CarbonylContact O-C 3.31Å; R328-L331 PolarHBondContact O-N 3.33Å; R328-L331 VanDerWaalsContact O-N 3.16Å; N329-L331 VanDerWaalsContact C-N 3.29Å; N329-L331 PolarHBondContact O-N 2.82Å; L331-L333 VanDerWaalsContact C-N 3.26Å; L331-L333 HydrophobicContact CB-CD1 4.18Å; L331-L333 HydrophobicContact CB-CG 4.12Å; L331-L333 HydrophobicContact CD1-CD1 4.23Å; L331-L333 PolarHBondContact O-N 2.84Å; L331-W346 HydrophobicContact CD1-CH2 4.29Å; L331-W346 HydrophobicContact CD1-CZ3 4.29Å |
| 332 | G | 88.4 | Confident | 85.9 | Confident | 68 Ų | 68 | 79.5 Ų | 79.5 | 70% | 0.701 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 21.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | R328 N329 A330 | R328-G332 PolarHBondContact O-N 3.16Å; R328-G332 VanDerWaalsContact O-N 3.09Å; N329-G332 PolarHBondContact O-N 2.68Å; N329-G332 VanDerWaalsContact O-N 3.1Å; A330-G332 VanDerWaalsContact C-N 3.27Å |
| 333 | L | 87.7 | Confident | 86 | Confident | 27 Ų | 27 | 73.9 Ų | 73.9 | 14% | 0.141 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -91.3 | 143 | 173.6 | -64.1 | 173.7 | 0 | 0 | 0 | 110.1 | M323 R328 L331 S335 | M323-L333 HydrophobicContact CE-CD1 3.72Å; M323-L333 HydrophobicContact SD-CD1 4.41Å; R328-L333 CarbonylContact C-O 3.56Å; R328-L333 HydrophobicContact CB-CB 4.18Å; R328-L333 PolarHBondContact O-N 3.24Å; L331-L333 VanDerWaalsContact C-N 3.26Å; L331-L333 HydrophobicContact CB-CD1 4.18Å; L331-L333 HydrophobicContact CB-CG 4.12Å; L331-L333 HydrophobicContact CD1-CD1 4.23Å; L331-L333 PolarHBondContact O-N 2.84Å; L333-S335 PolarHBondContact O-N 3.22Å |
| 334 | P | 86.4 | Confident | 86.2 | Confident | 59 Ų | 59 | 73.7 Ų | 73.7 | 38% | 0.383 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 128 | 173.6 | -25.9 | 36.4 | 0 | 0 | 0 | 112.4 | A339 Y342 | P334-A339 WeakPolarHBondContact O-CB 3.47Å; P334-Y342 HydrophobicContact CB-CD2 3.87Å; P334-Y342 HydrophobicContact CB-CE2 3.99Å; P334-Y342 HydrophobicContact CB-CG 4.42Å; P334-Y342 HydrophobicContact CG-CD1 4.01Å; P334-Y342 HydrophobicContact CG-CD2 3.66Å; P334-Y342 HydrophobicContact CG-CE1 4.1Å; P334-Y342 HydrophobicContact CG-CE2 3.74Å; P334-Y342 HydrophobicContact CG-CG 3.8Å |
| 335 | S | 84.1 | Confident | 86.2 | Confident | 53 Ų | 53 | 74.7 Ų | 74.7 | 37% | 0.371 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -97.6 | 156.2 | 174 | 64.1 | 0 | 0 | 0 | 0 | 112.1 | N329 L333 | N329-S335 VanDerWaalsContact OD1-CB 3.31Å; N329-S335 WeakPolarHBondContact OD1-CB 3.5Å; N329-S335 PolarHBondContact OD1-OG 3.02Å; L333-S335 PolarHBondContact O-N 3.22Å |
| 336 | G | 80.8 | Confident | 86.2 | Confident | 38 Ų | 38 | 75.8 Ų | 75.8 | 39% | 0.392 | 44% | 0.439 | S | S | . | . | S | Bend | trans | 111.1 | -160.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | D325 G338 A339 | D325-G336 PolarHBondContact OD1-N 3.46Å; G336-G338 PolarHBondContact O-N 2.98Å; G336-A339 VanDerWaalsContact O-CB 3.28Å; G336-A339 WeakPolarHBondContact O-CB 3.29Å; G336-A339 PolarHBondContact O-N 3.43Å |
| 337 | S | 77 | Confident | 86.2 | Confident | 145 Ų | 145 | 68.2 Ų | 68.2 | 100% | 1.014 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | 24.1 | -170.4 | 65.1 | 0 | 0 | 0 | 0 | 116 | ||
| 338 | G | 77.7 | Confident | 86.1 | Confident | 33 Ų | 33 | 67.5 Ų | 67.5 | 34% | 0.34 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -155.7 | 16 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | G336 E340 R341 | G336-G338 PolarHBondContact O-N 2.98Å; G338-E340 PolarHBondContact O-N 3.17Å; G338-R341 WeakPolarHBondContact O-CB 3.35Å; G338-R341 WeakPolarHBondContact O-CG 3.45Å; G338-R341 PolarHBondContact O-N 3.34Å |
| 339 | A | 78.4 | Confident | 86.1 | Confident | 9 Ų | 9 | 68.4 Ų | 68.4 | 7% | 0.074 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -62.4 | -23 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | R328 P334 G336 R341 | R328-A339 PolarHBondContact NH1-O 3.44Å; P334-A339 WeakPolarHBondContact O-CB 3.47Å; G336-A339 VanDerWaalsContact O-CB 3.28Å; G336-A339 WeakPolarHBondContact O-CB 3.29Å; G336-A339 PolarHBondContact O-N 3.43Å; A339-R341 PolarHBondContact O-N 2.94Å |
| 340 | E | 78 | Confident | 86.1 | Confident | 143 Ų | 143 | 65.5 Ų | 65.5 | 67% | 0.668 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -67.4 | -22.4 | 174.6 | -67.9 | -179.5 | -179.7 | 0 | 0 | 112.9 | G338 Y342 W384 | G338-E340 PolarHBondContact O-N 3.17Å; E340-Y342 PolarHBondContact O-N 2.87Å; E340-W384 WeakPolarHBondContact O-CZ2 3.41Å |
| 341 | R | 80.3 | Confident | 86 | Confident | 143 Ų | 143 | 62.1 Ų | 62.1 | 54% | 0.54 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -69.3 | -23.9 | -178.5 | -62.8 | -170.1 | -179.8 | -173.3 | 0.6 | 113.7 | G338 A339 C375 W384 | G338-R341 WeakPolarHBondContact O-CB 3.35Å; G338-R341 WeakPolarHBondContact O-CG 3.45Å; G338-R341 PolarHBondContact O-N 3.34Å; A339-R341 PolarHBondContact O-N 2.94Å; R341-C375 WeakPolarHBondContact CA-SG 3.37Å; R341-C375 VanDerWaalsContact CB-SG 3.54Å; R341-W384 PolarHBondContact O-NE1 3.03Å |
| 342 | Y | 85.5 | Confident | 85.9 | Confident | 99 Ų | 99 | 66.6 Ų | 66.6 | 39% | 0.388 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -103.4 | 111.8 | -176.9 | -66.3 | -89.6 | 0 | 0 | 0 | 109.3 | P334 E340 | P334-Y342 HydrophobicContact CB-CD2 3.87Å; P334-Y342 HydrophobicContact CB-CE2 3.99Å; P334-Y342 HydrophobicContact CB-CG 4.42Å; P334-Y342 HydrophobicContact CG-CD1 4.01Å; P334-Y342 HydrophobicContact CG-CD2 3.66Å; P334-Y342 HydrophobicContact CG-CE1 4.1Å; P334-Y342 HydrophobicContact CG-CE2 3.74Å; P334-Y342 HydrophobicContact CG-CG 3.8Å; E340-Y342 PolarHBondContact O-N 2.87Å |
| 343 | P | 89 | Confident | 86 | Confident | 18 Ų | 18 | 72.8 Ų | 72.8 | 12% | 0.117 | 38% | 0.381 | C | S | . | . | trans | -71.1 | 152.4 | -179.2 | 29.4 | -34.5 | 0 | 0 | 0 | 110.9 | L347 G383 W384 | P343-L347 HydrophobicContact CB-CB 4.25Å; P343-L347 HydrophobicContact CB-CD2 3.39Å; P343-L347 HydrophobicContact CB-CG 4.42Å; P343-L347 HydrophobicContact CG-CD2 4.08Å; P343-G383 WeakPolarHBondContact CG-O 3.44Å; P343-W384 HydrophobicContact CB-CD2 3.92Å; P343-W384 HydrophobicContact CB-CE3 3.83Å; P343-W384 HydrophobicContact CB-CH2 4.25Å; P343-W384 HydrophobicContact CB-CZ2 4.36Å; P343-W384 HydrophobicContact CB-CZ3 3.95Å; P343-W384 HydrophobicContact CG-CD2 4.04Å; P343-W384 HydrophobicContact CG-CE3 4.42Å; P343-W384 HydrophobicContact CG-CG 4.16Å | ||
| 344 | P | 90.9 | Very high | 86 | Confident | 28 Ų | 28 | 72 Ų | 72 | 18% | 0.182 | 38% | 0.378 | C | S | . | . | trans | -65.4 | 150.2 | 171.1 | 28.8 | -34.1 | 0 | 0 | 0 | 111 | M323 W346 L347 | M323-P344 HydrophobicContact CE-CB 4.31Å; M323-P344 HydrophobicContact SD-CB 4.46Å; P344-W346 HydrophobicContact CB-CD2 3.74Å; P344-W346 HydrophobicContact CB-CE3 4.09Å; P344-W346 HydrophobicContact CB-CG 4.36Å; P344-W346 HydrophobicContact CB-CH2 3.71Å; P344-W346 HydrophobicContact CB-CZ2 3.32Å; P344-W346 HydrophobicContact CB-CZ3 4.06Å; P344-W346 HydrophobicContact CG-CD2 4.38Å; P344-W346 HydrophobicContact CG-CZ2 3.91Å; P344-W346 PolarHBondContact O-N 3.24Å; P344-W346 VanDerWaalsContact O-N 3.14Å; P344-L347 VanDerWaalsContact O-CB 3.23Å; P344-L347 WeakPolarHBondContact O-CB 3.22Å; P344-L347 PolarHBondContact O-N 3.36Å | ||
| 345 | P | 89.1 | Confident | 86.2 | Confident | 88 Ų | 88 | 71 Ų | 71 | 57% | 0.571 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -25.5 | -172.3 | 25.3 | -34.8 | 0 | 0 | 0 | 113.5 | L347 | P345-L347 PolarHBondContact O-N 3.44Š|
| 346 | W | 91.9 | Very high | 86.5 | Confident | 111 Ų | 111 | 69.9 Ų | 69.9 | 42% | 0.42 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -7.2 | 176.7 | 57.4 | 73.4 | 0 | 0 | 0 | 113.8 | M323 L331 P344 I348 A349 M350 | M323-W346 HydrophobicContact SD-CH2 3.65Å; M323-W346 HydrophobicContact SD-CZ2 3.95Å; L331-W346 HydrophobicContact CD1-CH2 4.29Å; L331-W346 HydrophobicContact CD1-CZ3 4.29Å; P344-W346 HydrophobicContact CB-CD2 3.74Å; P344-W346 HydrophobicContact CB-CE3 4.09Å; P344-W346 HydrophobicContact CB-CG 4.36Å; P344-W346 HydrophobicContact CB-CH2 3.71Å; P344-W346 HydrophobicContact CB-CZ2 3.32Å; P344-W346 HydrophobicContact CB-CZ3 4.06Å; P344-W346 HydrophobicContact CG-CD2 4.38Å; P344-W346 HydrophobicContact CG-CZ2 3.91Å; P344-W346 PolarHBondContact O-N 3.24Å; P344-W346 VanDerWaalsContact O-N 3.14Å; W346-I348 PolarHBondContact O-N 2.53Å; W346-A349 WeakPolarHBondContact O-CB 3.46Å; W346-A349 PolarHBondContact O-N 2.84Å; W346-A349 VanDerWaalsContact O-N 3.09Å; W346-M350 VanDerWaalsContact CD1-SD 3.56Å; W346-M350 HydrophobicContact CG-CE 4.13Å; W346-M350 WeakPolarHBondContact O-CG 3.37Å; W346-M350 PolarHBondContact O-N 3.1Å |
| 347 | L | 91 | Very high | 87 | Confident | 3 Ų | 3 | 74.4 Ų | 74.4 | 2% | 0.016 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -54.9 | -42.7 | 175.5 | 178.9 | 68.7 | 0 | 0 | 0 | 111.4 | P343 P344 P345 A349 M350 Q351 I364 L367 W384 | P343-L347 HydrophobicContact CB-CB 4.25Å; P343-L347 HydrophobicContact CB-CD2 3.39Å; P343-L347 HydrophobicContact CB-CG 4.42Å; P343-L347 HydrophobicContact CG-CD2 4.08Å; P344-L347 VanDerWaalsContact O-CB 3.23Å; P344-L347 WeakPolarHBondContact O-CB 3.22Å; P344-L347 PolarHBondContact O-N 3.36Å; P345-L347 PolarHBondContact O-N 3.44Å; L347-A349 VanDerWaalsContact C-N 3.27Å; L347-A349 PolarHBondContact O-N 3Å; L347-M350 WeakPolarHBondContact O-CB 3.37Å; L347-M350 PolarHBondContact O-N 3.32Å; L347-M350 VanDerWaalsContact O-N 3.13Å; L347-Q351 WeakPolarHBondContact O-CG 3.43Å; L347-Q351 PolarHBondContact O-N 3.03Å; L347-I364 HydrophobicContact CD1-CG2 3.82Å; L347-L367 HydrophobicContact CD1-CB 4.44Å; L347-W384 HydrophobicContact CD2-CB 4.4Å; L347-W384 HydrophobicContact CD2-CD2 4.24Å; L347-W384 HydrophobicContact CD2-CE3 3.49Å; L347-W384 VanDerWaalsContact CD2-CE3 3.49Å; L347-W384 HydrophobicContact CD2-CZ3 4.1Å |
| 348 | I | 88.5 | Confident | 87.7 | Confident | 64 Ų | 64 | 71.6 Ų | 71.6 | 33% | 0.328 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.6 | -36.8 | -179.9 | -60.8 | 172.6 | 0 | 0 | 0 | 111 | W346 R352 Y379 | W346-I348 PolarHBondContact O-N 2.53Å; I348-R352 WeakPolarHBondContact O-CG 3.35Å; I348-R352 PolarHBondContact O-N 2.91Å; I348-Y379 HydrophobicContact CD1-CD1 4.44Å; I348-Y379 HydrophobicContact CD1-CE1 4.41Å; I348-Y379 HydrophobicContact CG2-CE1 4.44Å |
| 349 | A | 91 | Very high | 88.4 | Confident | 44 Ų | 44 | 75.6 Ų | 75.6 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -70.8 | -41.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | W346 L347 Q351 R352 Y353 | W346-A349 WeakPolarHBondContact O-CB 3.46Å; W346-A349 PolarHBondContact O-N 2.84Å; W346-A349 VanDerWaalsContact O-N 3.09Å; L347-A349 VanDerWaalsContact C-N 3.27Å; L347-A349 PolarHBondContact O-N 3Å; A349-Q351 VanDerWaalsContact C-N 3.28Å; A349-Q351 PolarHBondContact O-N 3.27Å; A349-R352 PolarHBondContact O-N 3.38Å; A349-Y353 HydrophobicContact CB-CD2 4.34Å; A349-Y353 VanDerWaalsContact O-CD2 3.25Å; A349-Y353 WeakPolarHBondContact O-CD2 3.17Å; A349-Y353 PolarHBondContact O-N 3.13Å |
| 350 | M | 91.6 | Very high | 88.8 | Confident | 37 Ų | 37 | 79.9 Ų | 79.9 | 18% | 0.182 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.7 | -33.5 | 175.2 | -67.9 | 178 | 175.1 | 0 | 0 | 112.4 | W346 L347 R352 G354 P356 I364 L367 | W346-M350 VanDerWaalsContact CD1-SD 3.56Å; W346-M350 HydrophobicContact CG-CE 4.13Å; W346-M350 WeakPolarHBondContact O-CG 3.37Å; W346-M350 PolarHBondContact O-N 3.1Å; L347-M350 WeakPolarHBondContact O-CB 3.37Å; L347-M350 PolarHBondContact O-N 3.32Å; L347-M350 VanDerWaalsContact O-N 3.13Å; M350-R352 VanDerWaalsContact C-N 3.27Å; M350-R352 PolarHBondContact O-N 3.29Å; M350-G354 WeakPolarHBondContact CA-O 3.28Å; M350-G354 CarbonylContact O-C 3.51Å; M350-G354 WeakPolarHBondContact O-CA 3.35Å; M350-G354 PolarHBondContact O-N 3.19Å; M350-P356 HydrophobicContact CE-CG 3.73Å; M350-I364 HydrophobicContact SD-CD1 3.77Å; M350-L367 HydrophobicContact CB-CD1 4.43Å; M350-L367 HydrophobicContact CB-CD2 4.04Å; M350-L367 WeakPolarHBondContact O-CD1 3.47Å |
| 351 | Q | 89.4 | Confident | 89.2 | Confident | 16 Ų | 16 | 79.9 Ų | 79.9 | 8% | 0.075 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66.4 | -27.6 | 173.3 | -72.8 | 171.6 | -17.9 | 0 | 0 | 113.1 | L347 A349 G366 L367 W384 K386 | L347-Q351 WeakPolarHBondContact O-CG 3.43Å; L347-Q351 PolarHBondContact O-N 3.03Å; A349-Q351 VanDerWaalsContact C-N 3.28Å; A349-Q351 PolarHBondContact O-N 3.27Å; Q351-G366 PolarHBondContact NE2-O 3.47Å; Q351-L367 VanDerWaalsContact CA-CD1 3.45Å; Q351-L367 HydrophobicContact CB-CD1 4.17Å; Q351-L367 HydrophobicContact CG-CD1 3.7Å; Q351-W384 PolarHBondContact NE2-O 3.14Å; Q351-K386 PolarHBondContact NE2-O 3.25Å; Q351-K386 PolarHBondContact OE1-O 3.48Å; Q351-K386 VanDerWaalsContact OE1-O 3.07Å |
| 352 | R | 87.9 | Confident | 89.6 | Confident | 172 Ų | 172 | 74.8 Ų | 74.8 | 65% | 0.649 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -88.3 | -41.1 | -179.9 | -68.1 | 175.4 | -177.6 | -146.2 | 0.3 | 113.3 | I348 A349 M350 | I348-R352 WeakPolarHBondContact O-CG 3.35Å; I348-R352 PolarHBondContact O-N 2.91Å; A349-R352 PolarHBondContact O-N 3.38Å; M350-R352 VanDerWaalsContact C-N 3.27Å; M350-R352 PolarHBondContact O-N 3.29Å |
| 353 | Y | 89.4 | Confident | 89.7 | Confident | 199 Ų | 199 | 77.1 Ų | 77.1 | 78% | 0.78 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -101.6 | -18.4 | -173.7 | -62.4 | -67.2 | 0 | 0 | 0 | 113.4 | A349 | A349-Y353 HydrophobicContact CB-CD2 4.34Å; A349-Y353 VanDerWaalsContact O-CD2 3.25Å; A349-Y353 WeakPolarHBondContact O-CD2 3.17Å; A349-Y353 PolarHBondContact O-N 3.13Å |
| 354 | G | 88 | Confident | 89.7 | Confident | 9 Ų | 9 | 77.2 Ų | 77.2 | 9% | 0.093 | 40% | 0.399 | C | S | . | . | trans | 103.4 | 175.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | M350 Y397 | M350-G354 WeakPolarHBondContact CA-O 3.28Å; M350-G354 CarbonylContact O-C 3.51Å; M350-G354 WeakPolarHBondContact O-CA 3.35Å; M350-G354 PolarHBondContact O-N 3.19Å; G354-Y397 PolarHBondContact N-OH 2.96Å | ||
| 355 | P | 90 | Very high | 89.5 | Confident | 39 Ų | 39 | 78.2 Ų | 78.2 | 25% | 0.253 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -65.2 | 158.9 | 177 | 27.9 | -34.5 | 0 | 0 | 0 | 111.8 | L367 | P355-L367 HydrophobicContact CB-CD2 3.92Š|
| 356 | P | 91.6 | Very high | 89.3 | Confident | 29 Ų | 29 | 74 Ų | 74 | 19% | 0.188 | 38% | 0.378 | C | S | . | . | trans | -53.8 | 127.6 | 177 | -28.3 | 36.1 | 0 | 0 | 0 | 113 | M350 S358 Y359 | M350-P356 HydrophobicContact CE-CG 3.73Å; P356-S358 PolarHBondContact O-N 3.28Å; P356-S358 VanDerWaalsContact O-N 3.17Å; P356-Y359 HydrophobicContact CB-CD2 4.13Å; P356-Y359 CarbonylContact O-C 3.5Å; P356-Y359 PolarHBondContact O-N 3.49Å | ||
| 357 | P | 91.1 | Very high | 89.1 | Confident | 134 Ų | 134 | 68.7 Ų | 68.7 | 87% | 0.87 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -24.2 | -174.4 | 24.6 | -34.1 | 0 | 0 | 0 | 113.7 | Y359 | P357-Y359 VanDerWaalsContact C-N 3.32Š|
| 358 | S | 92.3 | Very high | 88.8 | Confident | 86 Ų | 86 | 69.3 Ų | 69.3 | 60% | 0.601 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -14.9 | 177.2 | 58.2 | 0 | 0 | 0 | 0 | 114 | P356 | P356-S358 PolarHBondContact O-N 3.28Å; P356-S358 VanDerWaalsContact O-N 3.17Å |
| 359 | Y | 91.1 | Very high | 88.6 | Confident | 116 Ų | 116 | 67.1 Ų | 67.1 | 46% | 0.455 | 35% | 0.353 | S | S | . | . | trans | -128.8 | 70.9 | -175.6 | -57.1 | -70.3 | 0 | 0 | 0 | 111.5 | P320 P356 P357 N361 L362 | P320-Y359 HydrophobicContact CB-CE2 4.31Å; P320-Y359 HydrophobicContact CG-CD1 4.27Å; P320-Y359 HydrophobicContact CG-CE1 3.92Å; P320-Y359 HydrophobicContact CG-CE2 4.44Å; P356-Y359 HydrophobicContact CB-CD2 4.13Å; P356-Y359 CarbonylContact O-C 3.5Å; P356-Y359 PolarHBondContact O-N 3.49Å; P357-Y359 VanDerWaalsContact C-N 3.32Å; Y359-N361 PolarHBondContact O-N 3.27Å; Y359-L362 WeakPolarHBondContact O-CB 3.28Å; Y359-L362 PolarHBondContact O-N 3.29Å | ||
| 360 | P | 87.3 | Confident | 88.4 | Confident | 100 Ų | 100 | 68.2 Ų | 68.2 | 65% | 0.649 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -30.3 | -175.6 | 22.8 | -32.4 | 0 | 0 | 0 | 113.4 | ||
| 361 | N | 86.8 | Confident | 88.2 | Confident | 143 Ų | 143 | 67.6 Ų | 67.6 | 77% | 0.765 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 1 | -178.2 | -62.2 | -17.9 | 0 | 0 | 0 | 113.6 | Y359 K363 | Y359-N361 PolarHBondContact O-N 3.27Å; N361-K363 PolarHBondContact O-N 3.25Å |
| 362 | L | 89 | Confident | 87.9 | Confident | 36 Ų | 36 | 68.3 Ų | 68.3 | 19% | 0.188 | 36% | 0.359 | C | S | . | . | trans | -69.6 | 118.7 | -176.8 | -178.5 | 66.7 | 0 | 0 | 0 | 110.5 | P320 Y359 I364 N368 | P320-L362 HydrophobicContact CB-CD1 4.49Å; P320-L362 HydrophobicContact CB-CD2 4.48Å; Y359-L362 WeakPolarHBondContact O-CB 3.28Å; Y359-L362 PolarHBondContact O-N 3.29Å; L362-I364 HydrophobicContact CD2-CD1 4.03Å; L362-I364 HydrophobicContact CD2-CG1 4.08Å; L362-I364 HydrophobicContact CG-CD1 4.37Å; L362-I364 HydrophobicContact CG-CG1 3.96Å; L362-N368 PolarHBondContact O-ND2 3.42Å | ||
| 363 | K | 87 | Confident | 87.5 | Confident | 148 Ų | 148 | 67.6 Ų | 67.6 | 64% | 0.643 | 37% | 0.368 | S | S | * | . | trans | -85.2 | 120.3 | 174.5 | -56 | -58 | -177.4 | 177.7 | 0 | 109.5 | N361 A369 | N361-K363 PolarHBondContact O-N 3.25Å; K363-A369 HydrophobicContact CB-CB 4.28Å | ||
| 364 | I | 89.2 | Confident | 87 | Confident | 20 Ų | 20 | 61.9 Ų | 61.9 | 10% | 0.103 | 37% | 0.37 | C | S | . | . | trans | -120.3 | 115.5 | -178 | -59.4 | 172.9 | 0 | 0 | 0 | 107.1 | L347 M350 L362 G366 L367 N368 A369 | L347-I364 HydrophobicContact CD1-CG2 3.82Å; M350-I364 HydrophobicContact SD-CD1 3.77Å; L362-I364 HydrophobicContact CD2-CD1 4.03Å; L362-I364 HydrophobicContact CD2-CG1 4.08Å; L362-I364 HydrophobicContact CG-CD1 4.37Å; L362-I364 HydrophobicContact CG-CG1 3.96Å; I364-G366 PolarHBondContact O-N 2.95Å; I364-L367 HydrophobicContact CB-CB 4.1Å; I364-L367 HydrophobicContact CB-CD2 4.35Å; I364-L367 HydrophobicContact CD1-CD2 3.96Å; I364-L367 HydrophobicContact CG2-CB 4.05Å; I364-L367 PolarHBondContact O-N 3.27Å; I364-L367 VanDerWaalsContact O-N 3.16Å; I364-N368 WeakPolarHBondContact CA-OD1 3.46Å; I364-N368 PolarHBondContact N-OD1 3.41Å; I364-N368 PolarHBondContact O-N 3.02Å; I364-N368 PolarHBondContact O-OD1 3.45Å; I364-N368 VanDerWaalsContact O-OD1 3.11Å; I364-A369 PolarHBondContact O-N 3.26Å | ||
| 365 | P | 87.5 | Confident | 86.8 | Confident | 48 Ų | 48 | 62.9 Ų | 62.9 | 31% | 0.312 | 38% | 0.376 | S | S | . | . | B | Isolated β-bridge | trans | -57.6 | 137.6 | 176.1 | 17.6 | -25.4 | 0 | 0 | 0 | 111 | L367 P370 P372 W384 | P365-L367 VanDerWaalsContact C-N 3.29Å; P365-L367 PolarHBondContact O-N 3.11Å; P365-P370 WeakPolarHBondContact CB-O 3.5Å; P365-P372 HydrophobicContact CB-CG 4.38Å; P365-W384 HydrophobicContact CB-CE3 4.44Å; P365-W384 HydrophobicContact CB-CH2 3.7Å; P365-W384 HydrophobicContact CB-CZ3 3.5Å; P365-W384 HydrophobicContact CG-CH2 3.64Å; P365-W384 HydrophobicContact CG-CZ3 3.63Å; P365-W384 WeakPolarHBondContact O-CZ3 3.41Å |
| 366 | G | 84.7 | Confident | 86.5 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 7.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q351 I364 A369 | Q351-G366 PolarHBondContact NE2-O 3.47Å; I364-G366 PolarHBondContact O-N 2.95Å; G366-A369 PolarHBondContact N-O 3.17Å |
| 367 | L | 86 | Confident | 86.1 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.7 | -53.6 | 175.3 | -172.8 | 78.3 | 0 | 0 | 0 | 113.3 | L347 M350 Q351 P355 I364 P365 P388 Y397 V400 | L347-L367 HydrophobicContact CD1-CB 4.44Å; M350-L367 HydrophobicContact CB-CD1 4.43Å; M350-L367 HydrophobicContact CB-CD2 4.04Å; M350-L367 WeakPolarHBondContact O-CD1 3.47Å; Q351-L367 VanDerWaalsContact CA-CD1 3.45Å; Q351-L367 HydrophobicContact CB-CD1 4.17Å; Q351-L367 HydrophobicContact CG-CD1 3.7Å; P355-L367 HydrophobicContact CB-CD2 3.92Å; I364-L367 HydrophobicContact CB-CB 4.1Å; I364-L367 HydrophobicContact CB-CD2 4.35Å; I364-L367 HydrophobicContact CD1-CD2 3.96Å; I364-L367 HydrophobicContact CG2-CB 4.05Å; I364-L367 PolarHBondContact O-N 3.27Å; I364-L367 VanDerWaalsContact O-N 3.16Å; P365-L367 VanDerWaalsContact C-N 3.29Å; P365-L367 PolarHBondContact O-N 3.11Å; L367-P388 HydrophobicContact CD1-CB 4.44Å; L367-P388 HydrophobicContact CD1-CG 3.9Å; L367-Y397 HydrophobicContact CD1-CD2 4.07Å; L367-V400 WeakPolarHBondContact O-CG2 3.31Å |
| 368 | N | 85.4 | Confident | 85.8 | Confident | 15 Ų | 15 | 60 Ų | 60 | 8% | 0.08 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -137.8 | 6.1 | 178.7 | 66 | -17.4 | 0 | 0 | 0 | 112.6 | L362 I364 Y397 D399 | L362-N368 PolarHBondContact O-ND2 3.42Å; I364-N368 WeakPolarHBondContact CA-OD1 3.46Å; I364-N368 PolarHBondContact N-OD1 3.41Å; I364-N368 PolarHBondContact O-N 3.02Å; I364-N368 PolarHBondContact O-OD1 3.45Å; I364-N368 VanDerWaalsContact O-OD1 3.11Å; N368-Y397 WeakPolarHBondContact CB-O 3.5Å; N368-D399 CarbonylContact C-O 3.27Å |
| 369 | A | 85.3 | Confident | 85.4 | Confident | 19 Ų | 19 | 63.2 Ų | 63.2 | 16% | 0.157 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -134.3 | 155.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | K363 I364 G366 D399 | K363-A369 HydrophobicContact CB-CB 4.28Å; I364-A369 PolarHBondContact O-N 3.26Å; G366-A369 PolarHBondContact N-O 3.17Å; A369-D399 CarbonylContact C-O 3.18Å; A369-D399 WeakPolarHBondContact CA-O 3.48Å |
| 370 | P | 86 | Confident | 85 | Confident | 67 Ų | 67 | 62.3 Ų | 62.3 | 44% | 0.435 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 154.3 | 176.5 | 25.2 | -33.9 | 0 | 0 | 0 | 111.8 | P365 V400 | P365-P370 WeakPolarHBondContact CB-O 3.5Å; P370-V400 WeakPolarHBondContact CA-O 3.3Å |
| 371 | I | 86.8 | Confident | 84.5 | Confident | 24 Ų | 24 | 63.8 Ų | 63.8 | 12% | 0.123 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 146.5 | 172 | -64.5 | -176.2 | 0 | 0 | 0 | 109.3 | C375 F377 W384 | I371-C375 HydrophobicContact CG2-CB 3.38Å; I371-F377 HydrophobicContact CD1-CD1 3.47Å; I371-F377 VanDerWaalsContact CD1-CD1 3.47Å; I371-F377 HydrophobicContact CD1-CD2 3.5Å; I371-F377 VanDerWaalsContact CD1-CD2 3.5Å; I371-F377 HydrophobicContact CD1-CE1 3.29Å; I371-F377 HydrophobicContact CD1-CE2 3.3Å; I371-F377 HydrophobicContact CD1-CG 3.57Å; I371-F377 HydrophobicContact CD1-CZ 3.17Å; I371-F377 HydrophobicContact CG1-CE1 3.87Å; I371-F377 HydrophobicContact CG1-CE2 3.92Å; I371-F377 HydrophobicContact CG1-CZ 3.51Å; I371-W384 HydrophobicContact CD1-CB 3.48Å; I371-W384 VanDerWaalsContact CD1-CB 3.48Å; I371-W384 HydrophobicContact CD1-CD2 4.29Å; I371-W384 HydrophobicContact CD1-CG 3.75Å; I371-W384 HydrophobicContact CG1-CB 4.26Å; I371-W384 HydrophobicContact CG1-CD2 4.21Å; I371-W384 HydrophobicContact CG1-CE3 4.33Å; I371-W384 HydrophobicContact CG1-CG 4.2Å; I371-W384 HydrophobicContact CG2-CD2 3.9Å; I371-W384 HydrophobicContact CG2-CG 3.96Å; I371-W384 HydrophobicContact CG2-CZ2 4.4Å |
| 372 | P | 83.3 | Confident | 84.1 | Confident | 31 Ų | 31 | 58.3 Ų | 58.3 | 20% | 0.201 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 145.5 | 168.6 | -24.4 | 34.1 | 0 | 0 | 0 | 113.6 | P365 G374 C375 W384 | P365-P372 HydrophobicContact CB-CG 4.38Å; P372-G374 PolarHBondContact O-N 3.11Å; P372-C375 WeakPolarHBondContact O-CB 3.46Å; P372-C375 PolarHBondContact O-N 3.08Å; P372-W384 VanDerWaalsContact CD-CZ2 3.47Å; P372-W384 HydrophobicContact CG-CH2 3.94Å; P372-W384 HydrophobicContact CG-CZ2 3.77Å |
| 373 | D | 80.8 | Confident | 83.9 | Confident | 156 Ų | 156 | 57.1 Ų | 57.1 | 83% | 0.834 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 135 | -178.6 | -65.2 | -35.9 | 0 | 0 | 0 | 112.7 | ||
| 374 | G | 78.3 | Confident | 84 | Confident | 80 Ų | 80 | 50.4 Ų | 50.4 | 83% | 0.825 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.8 | 7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | P372 | P372-G374 PolarHBondContact O-N 3.11Š|
| 375 | C | 82.6 | Confident | 83.9 | Confident | 30 Ų | 30 | 49.5 Ų | 49.5 | 20% | 0.203 | 31% | 0.308 | C | S | . | . | trans | -107.6 | 148.7 | 172.8 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | R341 I371 P372 W384 | R341-C375 WeakPolarHBondContact CA-SG 3.37Å; R341-C375 VanDerWaalsContact CB-SG 3.54Å; I371-C375 HydrophobicContact CG2-CB 3.38Å; P372-C375 WeakPolarHBondContact O-CB 3.46Å; P372-C375 PolarHBondContact O-N 3.08Å; C375-W384 VanDerWaalsContact CB-NE1 3.33Å | ||
| 376 | A | 84 | Confident | 83.8 | Confident | 54 Ų | 54 | 53.7 Ų | 53.7 | 45% | 0.446 | 32% | 0.321 | S | S | . | . | trans | -118.1 | 148.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | W384 | A376-W384 PolarHBondContact O-N 3.27Š| ||
| 377 | F | 83.4 | Confident | 83.7 | Confident | 68 Ų | 68 | 55 Ų | 55 | 30% | 0.298 | 33% | 0.329 | S | S | . | . | trans | -66.4 | 136.3 | 165.1 | -70.6 | -77.3 | 0 | 0 | 0 | 109.6 | I371 W384 P387 V400 F401 | I371-F377 HydrophobicContact CD1-CD1 3.47Å; I371-F377 VanDerWaalsContact CD1-CD1 3.47Å; I371-F377 HydrophobicContact CD1-CD2 3.5Å; I371-F377 VanDerWaalsContact CD1-CD2 3.5Å; I371-F377 HydrophobicContact CD1-CE1 3.29Å; I371-F377 HydrophobicContact CD1-CE2 3.3Å; I371-F377 HydrophobicContact CD1-CG 3.57Å; I371-F377 HydrophobicContact CD1-CZ 3.17Å; I371-F377 HydrophobicContact CG1-CE1 3.87Å; I371-F377 HydrophobicContact CG1-CE2 3.92Å; I371-F377 HydrophobicContact CG1-CZ 3.51Å; F377-W384 HydrophobicContact CD1-CB 4.31Å; F377-P387 HydrophobicContact CD1-CB 4.05Å; F377-P387 HydrophobicContact CD1-CG 4.14Å; F377-P387 HydrophobicContact CE1-CB 3.65Å; F377-P387 HydrophobicContact CE1-CG 4.23Å; F377-P387 HydrophobicContact CE2-CB 4.49Å; F377-P387 HydrophobicContact CG-CG 4.34Å; F377-P387 HydrophobicContact CZ-CB 3.93Å; F377-V400 HydrophobicContact CE1-CG1 4.04Å; F377-V400 HydrophobicContact CZ-CG1 3.53Å; F377-F401 HydrophobicContact CE2-CE1 4.26Å | ||
| 378 | G | 85.2 | Confident | 83.5 | Confident | 18 Ų | 18 | 55.5 Ų | 55.5 | 19% | 0.186 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | 159.8 | 165.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | G383 W384 G385 | G378-G383 CarbonylContact O-C 3.57Å; G378-G383 VanDerWaalsContact O-C 3.27Å; G378-G383 WeakPolarHBondContact O-CA 3.47Å; G378-W384 PolarHBondContact O-N 2.96Å; G378-G385 PolarHBondContact N-O 3.35Å; G378-G385 WeakPolarHBondContact O-CA 3.28Å; G378-G385 PolarHBondContact O-N 3.37Å |
| 379 | Y | 84 | Confident | 83.3 | Confident | 154 Ų | 154 | 56.9 Ų | 56.9 | 60% | 0.604 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -99.3 | 17.1 | 176.3 | -67.5 | -81.6 | 0 | 0 | 0 | 113.1 | I348 K386 | I348-Y379 HydrophobicContact CD1-CD1 4.44Å; I348-Y379 HydrophobicContact CD1-CE1 4.41Å; I348-Y379 HydrophobicContact CG2-CE1 4.44Å; Y379-K386 HydrophobicContact CE2-CB 4.41Å |
| 380 | H | 82.6 | Confident | 83.1 | Confident | 97 Ų | 97 | 59 Ų | 59 | 45% | 0.449 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -76.2 | 163.1 | 172.7 | 56.2 | 75.4 | 0 | 0 | 0 | 110.5 | G382 G383 | H380-G382 PolarHBondContact O-N 2.61Å; H380-G383 WeakPolarHBondContact CE1-CA 3.34Å; H380-G383 PolarHBondContact ND1-N 2.92Å; H380-G383 WeakPolarHBondContact O-CA 3.39Å; H380-G383 PolarHBondContact O-N 3.16Å |
| 381 | P | 77.1 | Confident | 82.9 | Confident | 131 Ų | 131 | 65.8 Ų | 65.8 | 85% | 0.851 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 125.1 | 172.3 | -25.2 | 34.4 | 0 | 0 | 0 | 110.8 | G383 | P381-G383 VanDerWaalsContact C-N 3.29Å; P381-G383 PolarHBondContact O-N 3.33Å |
| 382 | G | 78.4 | Confident | 82.5 | Confident | 28 Ų | 28 | 70.7 Ų | 70.7 | 29% | 0.289 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 6.1 | -174 | 0 | 0 | 0 | 0 | 0 | 115.9 | H380 | H380-G382 PolarHBondContact O-N 2.61Š|
| 383 | G | 84.3 | Confident | 82.2 | Confident | 12 Ų | 12 | 71.3 Ų | 71.3 | 12% | 0.124 | 41% | 0.414 | C | S | . | . | trans | -76.7 | 150.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | P343 G378 H380 P381 G385 | P343-G383 WeakPolarHBondContact CG-O 3.44Å; G378-G383 CarbonylContact O-C 3.57Å; G378-G383 VanDerWaalsContact O-C 3.27Å; G378-G383 WeakPolarHBondContact O-CA 3.47Å; H380-G383 WeakPolarHBondContact CE1-CA 3.34Å; H380-G383 PolarHBondContact ND1-N 2.92Å; H380-G383 WeakPolarHBondContact O-CA 3.39Å; H380-G383 PolarHBondContact O-N 3.16Å; P381-G383 VanDerWaalsContact C-N 3.29Å; P381-G383 PolarHBondContact O-N 3.33Å; G383-G385 VanDerWaalsContact C-N 3.3Å; G383-G385 PolarHBondContact O-N 3.05Å | ||
| 384 | W | 89.2 | Confident | 82 | Confident | 6 Ų | 6 | 70 Ų | 70 | 2% | 0.023 | 40% | 0.397 | C | S | . | . | trans | -89.9 | 18.2 | -174.8 | -73.4 | 71.3 | 0 | 0 | 0 | 114.8 | E340 R341 P343 L347 Q351 P365 I371 P372 C375 A376 F377 G378 | E340-W384 WeakPolarHBondContact O-CZ2 3.41Å; R341-W384 PolarHBondContact O-NE1 3.03Å; P343-W384 HydrophobicContact CB-CD2 3.92Å; P343-W384 HydrophobicContact CB-CE3 3.83Å; P343-W384 HydrophobicContact CB-CH2 4.25Å; P343-W384 HydrophobicContact CB-CZ2 4.36Å; P343-W384 HydrophobicContact CB-CZ3 3.95Å; P343-W384 HydrophobicContact CG-CD2 4.04Å; P343-W384 HydrophobicContact CG-CE3 4.42Å; P343-W384 HydrophobicContact CG-CG 4.16Å; L347-W384 HydrophobicContact CD2-CB 4.4Å; L347-W384 HydrophobicContact CD2-CD2 4.24Å; L347-W384 HydrophobicContact CD2-CE3 3.49Å; L347-W384 VanDerWaalsContact CD2-CE3 3.49Å; L347-W384 HydrophobicContact CD2-CZ3 4.1Å; Q351-W384 PolarHBondContact NE2-O 3.14Å; P365-W384 HydrophobicContact CB-CE3 4.44Å; P365-W384 HydrophobicContact CB-CH2 3.7Å; P365-W384 HydrophobicContact CB-CZ3 3.5Å; P365-W384 HydrophobicContact CG-CH2 3.64Å; P365-W384 HydrophobicContact CG-CZ3 3.63Å; P365-W384 WeakPolarHBondContact O-CZ3 3.41Å; I371-W384 HydrophobicContact CD1-CB 3.48Å; I371-W384 VanDerWaalsContact CD1-CB 3.48Å; I371-W384 HydrophobicContact CD1-CD2 4.29Å; I371-W384 HydrophobicContact CD1-CG 3.75Å; I371-W384 HydrophobicContact CG1-CB 4.26Å; I371-W384 HydrophobicContact CG1-CD2 4.21Å; I371-W384 HydrophobicContact CG1-CE3 4.33Å; I371-W384 HydrophobicContact CG1-CG 4.2Å; I371-W384 HydrophobicContact CG2-CD2 3.9Å; I371-W384 HydrophobicContact CG2-CG 3.96Å; I371-W384 HydrophobicContact CG2-CZ2 4.4Å; P372-W384 VanDerWaalsContact CD-CZ2 3.47Å; P372-W384 HydrophobicContact CG-CH2 3.94Å; P372-W384 HydrophobicContact CG-CZ2 3.77Å; C375-W384 VanDerWaalsContact CB-NE1 3.33Å; A376-W384 PolarHBondContact O-N 3.27Å; F377-W384 HydrophobicContact CD1-CB 4.31Å; G378-W384 PolarHBondContact O-N 2.96Å | ||
| 385 | G | 87.2 | Confident | 82 | Confident | 2 Ų | 2 | 67.8 Ų | 67.8 | 2% | 0.021 | 37% | 0.369 | C | S | . | . | B | Isolated β-bridge | trans | 70.1 | -153.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G378 G383 | G378-G385 PolarHBondContact N-O 3.35Å; G378-G385 WeakPolarHBondContact O-CA 3.28Å; G378-G385 PolarHBondContact O-N 3.37Å; G383-G385 VanDerWaalsContact C-N 3.3Å; G383-G385 PolarHBondContact O-N 3.05Å |
| 386 | K | 84.7 | Confident | 81.8 | Confident | 136 Ų | 136 | 70 Ų | 70 | 59% | 0.591 | 38% | 0.381 | S | S | * | . | trans | -104.7 | 130 | -179.6 | -173.7 | -174.5 | 176.8 | -171.2 | 0 | 108.7 | Q351 Y379 | Q351-K386 PolarHBondContact NE2-O 3.25Å; Q351-K386 PolarHBondContact OE1-O 3.48Å; Q351-K386 VanDerWaalsContact OE1-O 3.07Å; Y379-K386 HydrophobicContact CE2-CB 4.41Å | ||
| 387 | P | 83.1 | Confident | 81.5 | Confident | 27 Ų | 27 | 71.3 Ų | 71.3 | 18% | 0.175 | 38% | 0.375 | C | S | . | . | trans | -59.2 | 136.6 | 176.9 | 25.4 | -32.4 | 0 | 0 | 0 | 109.8 | F377 V389 V400 F401 | F377-P387 HydrophobicContact CD1-CB 4.05Å; F377-P387 HydrophobicContact CD1-CG 4.14Å; F377-P387 HydrophobicContact CE1-CB 3.65Å; F377-P387 HydrophobicContact CE1-CG 4.23Å; F377-P387 HydrophobicContact CE2-CB 4.49Å; F377-P387 HydrophobicContact CG-CG 4.34Å; F377-P387 HydrophobicContact CZ-CB 3.93Å; P387-V389 HydrophobicContact CB-CG2 3.84Å; P387-V389 HydrophobicContact CG-CG2 4.07Å; P387-V389 WeakPolarHBondContact O-CG2 3.13Å; P387-V389 PolarHBondContact O-N 3.42Å; P387-V400 HydrophobicContact CB-CG1 3.74Å; P387-F401 HydrophobicContact CB-CZ 4.21Å; P387-F401 HydrophobicContact CG-CZ 4.35Å | ||
| 388 | P | 82 | Confident | 81.1 | Confident | 10 Ų | 10 | 69.8 Ų | 69.8 | 7% | 0.065 | 38% | 0.379 | C | S | . | . | trans | -74.6 | 90.9 | -179.9 | 32.6 | -37.8 | 0 | 0 | 0 | 109.7 | L367 P395 V396 Y397 V400 | L367-P388 HydrophobicContact CD1-CB 4.44Å; L367-P388 HydrophobicContact CD1-CG 3.9Å; P388-P395 WeakPolarHBondContact O-CA 3.38Å; P388-V396 PolarHBondContact O-N 3.08Å; P388-Y397 HydrophobicContact CB-CD2 3.72Å; P388-Y397 HydrophobicContact CB-CE2 3.97Å; P388-Y397 HydrophobicContact CG-CD2 4.01Å; P388-V400 HydrophobicContact CG-CG2 3.89Å | ||
| 389 | V | 81.1 | Confident | 80.7 | Confident | 44 Ų | 44 | 70.6 Ų | 70.6 | 27% | 0.267 | 38% | 0.379 | S | S | . | . | B | Isolated β-bridge | trans | -122.5 | 137.5 | -173.7 | -172.9 | 0 | 0 | 0 | 0 | 108.9 | P387 G393 R394 F401 | P387-V389 HydrophobicContact CB-CG2 3.84Å; P387-V389 HydrophobicContact CG-CG2 4.07Å; P387-V389 WeakPolarHBondContact O-CG2 3.13Å; P387-V389 PolarHBondContact O-N 3.42Å; V389-G393 VanDerWaalsContact CG1-O 3.25Å; V389-G393 WeakPolarHBondContact CG1-O 3.34Å; V389-R394 CarbonylContact C-O 3.53Å; V389-R394 WeakPolarHBondContact CA-O 3.41Å; V389-R394 VanDerWaalsContact CG1-N 3.33Å; V389-R394 WeakPolarHBondContact CG1-O 3.48Å; V389-F401 HydrophobicContact CG2-CE2 4.3Å; V389-F401 HydrophobicContact CG2-CZ 4.19Å |
| 390 | D | 80.9 | Confident | 80.2 | Confident | 65 Ų | 65 | 63.3 Ų | 63.3 | 35% | 0.348 | 35% | 0.351 | S | S | . | . | trans | -68.7 | 177.8 | 175.1 | 69.8 | 7.4 | 0 | 0 | 0 | 112.1 | L392 G393 R394 V396 | D390-L392 PolarHBondContact O-N 2.95Å; D390-L392 VanDerWaalsContact O-N 3.09Å; D390-L392 VanDerWaalsContact OD1-C 3.3Å; D390-L392 WeakPolarHBondContact OD1-CA 3.43Å; D390-L392 WeakPolarHBondContact OD1-CB 3.49Å; D390-L392 PolarHBondContact OD1-N 3.24Å; D390-G393 PolarHBondContact O-N 3.42Å; D390-G393 PolarHBondContact OD1-N 2.95Å; D390-R394 PolarHBondContact N-O 2.88Å; D390-R394 WeakPolarHBondContact OD1-CA 3.49Å; D390-R394 WeakPolarHBondContact OD1-CB 3.45Å; D390-R394 PolarHBondContact OD1-N 3.3Å; D390-R394 WeakPolarHBondContact OD2-CB 3.25Å; D390-V396 HydrophobicContact CB-CG2 4.21Å | ||
| 391 | E | 82.8 | Confident | 79.7 | Confident | 208 Ų | 208 | 63 Ų | 63 | 97% | 0.972 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -20.4 | 177.4 | -62.9 | 179.1 | 176.1 | 0 | 0 | 113.3 | ||
| 392 | L | 77.9 | Confident | 79.2 | Confident | 127 Ų | 127 | 58.9 Ų | 58.9 | 67% | 0.665 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | 4.5 | -176.9 | -72.5 | 165.6 | 0 | 0 | 0 | 113.5 | D390 R394 | D390-L392 PolarHBondContact O-N 2.95Å; D390-L392 VanDerWaalsContact O-N 3.09Å; D390-L392 VanDerWaalsContact OD1-C 3.3Å; D390-L392 WeakPolarHBondContact OD1-CA 3.43Å; D390-L392 WeakPolarHBondContact OD1-CB 3.49Å; D390-L392 PolarHBondContact OD1-N 3.24Å; L392-R394 VanDerWaalsContact C-N 3.34Å; L392-R394 HydrophobicContact CB-CG 4.32Å |
| 393 | G | 76.3 | Confident | 78.3 | Confident | 45 Ų | 45 | 62.3 Ų | 62.3 | 46% | 0.464 | 34% | 0.341 | S | S | . | . | S | Bend | trans | 82.4 | 8.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | V389 D390 | V389-G393 VanDerWaalsContact CG1-O 3.25Å; V389-G393 WeakPolarHBondContact CG1-O 3.34Å; D390-G393 PolarHBondContact O-N 3.42Å; D390-G393 PolarHBondContact OD1-N 2.95Å |
| 394 | R | 76.5 | Confident | 76.9 | Confident | 127 Ų | 127 | 64.9 Ų | 64.9 | 48% | 0.479 | 37% | 0.367 | S | S | . | . | trans | -96.2 | 137.2 | -180 | -50.5 | 175.8 | -177.3 | -178 | 0.7 | 111.3 | V389 D390 L392 | V389-R394 CarbonylContact C-O 3.53Å; V389-R394 WeakPolarHBondContact CA-O 3.41Å; V389-R394 VanDerWaalsContact CG1-N 3.33Å; V389-R394 WeakPolarHBondContact CG1-O 3.48Å; D390-R394 PolarHBondContact N-O 2.88Å; D390-R394 WeakPolarHBondContact OD1-CA 3.49Å; D390-R394 WeakPolarHBondContact OD1-CB 3.45Å; D390-R394 PolarHBondContact OD1-N 3.3Å; D390-R394 WeakPolarHBondContact OD2-CB 3.25Å; L392-R394 VanDerWaalsContact C-N 3.34Å; L392-R394 HydrophobicContact CB-CG 4.32Å | ||
| 395 | P | 79.3 | Confident | 74.9 | Confident | 34 Ų | 34 | 67 Ų | 67 | 22% | 0.221 | 39% | 0.391 | C | S | . | . | B | Isolated β-bridge | trans | -73 | 134.1 | -176.7 | 31.9 | -36.7 | 0 | 0 | 0 | 111.7 | P388 G398 V400 | P388-P395 WeakPolarHBondContact O-CA 3.38Å; P395-G398 WeakPolarHBondContact CB-O 3.35Å; P395-G398 WeakPolarHBondContact CG-O 3.35Å; P395-V400 HydrophobicContact CB-CB 4.19Å; P395-V400 HydrophobicContact CB-CG2 3.64Å |
| 396 | V | 77.8 | Confident | 72.6 | Confident | 78 Ų | 78 | 73 Ų | 73 | 47% | 0.473 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -79.1 | -36 | -168.5 | 179.2 | 0 | 0 | 0 | 0 | 112.9 | P388 D390 | P388-V396 PolarHBondContact O-N 3.08Å; D390-V396 HydrophobicContact CB-CG2 4.21Å |
| 397 | Y | 77.5 | Confident | 70.5 | Confident | 80 Ų | 80 | 71.2 Ų | 71.2 | 31% | 0.314 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -113.1 | 8 | -169 | -58.3 | -61.9 | 0 | 0 | 0 | 114.4 | G354 L367 N368 P388 | G354-Y397 PolarHBondContact N-OH 2.96Å; L367-Y397 HydrophobicContact CD1-CD2 4.07Å; N368-Y397 WeakPolarHBondContact CB-O 3.5Å; P388-Y397 HydrophobicContact CB-CD2 3.72Å; P388-Y397 HydrophobicContact CB-CE2 3.97Å; P388-Y397 HydrophobicContact CG-CD2 4.01Å |
| 398 | G | 75.4 | Confident | 68.4 | Low | 37 Ų | 37 | 73.4 Ų | 73.4 | 38% | 0.381 | 44% | 0.439 | S | S | . | . | S | Bend | trans | 140.7 | -154.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | P395 V400 | P395-G398 WeakPolarHBondContact CB-O 3.35Å; P395-G398 WeakPolarHBondContact CG-O 3.35Å; G398-V400 PolarHBondContact O-N 3.21Å |
| 399 | D | 77.6 | Confident | 66.3 | Low | 35 Ų | 35 | 76.9 Ų | 76.9 | 19% | 0.187 | 48% | 0.477 | C | S | . | . | trans | -95.5 | 93.3 | -177.6 | -171.1 | 0.6 | 0 | 0 | 0 | 111.4 | N368 A369 F401 G402 N403 G404 G405 | N368-D399 CarbonylContact C-O 3.27Å; A369-D399 CarbonylContact C-O 3.18Å; A369-D399 WeakPolarHBondContact CA-O 3.48Å; D399-F401 VanDerWaalsContact C-N 3.26Å; D399-F401 PolarHBondContact O-N 2.93Å; D399-F401 PolarHBondContact OD1-N 3.09Å; D399-G402 PolarHBondContact OD1-N 3.29Å; D399-N403 PolarHBondContact OD1-N 3.02Å; D399-N403 PolarHBondContact OD2-N 3.4Å; D399-G404 WeakPolarHBondContact OD2-CA 3.39Å; D399-G404 PolarHBondContact OD2-N 3.38Å; D399-G405 PolarHBondContact OD2-N 3.26Å | ||
| 400 | V | 72.6 | Confident | 64.4 | Low | 1 Ų | 1 | 80.2 Ų | 80.2 | 1% | 0.006 | 50% | 0.497 | C | S | . | . | S | Bend | trans | -73.6 | -19.7 | 179.7 | -176 | 0 | 0 | 0 | 0 | 112.1 | L367 P370 F377 P387 P388 P395 G398 | L367-V400 WeakPolarHBondContact O-CG2 3.31Å; P370-V400 WeakPolarHBondContact CA-O 3.3Å; F377-V400 HydrophobicContact CE1-CG1 4.04Å; F377-V400 HydrophobicContact CZ-CG1 3.53Å; P387-V400 HydrophobicContact CB-CG1 3.74Å; P388-V400 HydrophobicContact CG-CG2 3.89Å; P395-V400 HydrophobicContact CB-CB 4.19Å; P395-V400 HydrophobicContact CB-CG2 3.64Å; G398-V400 PolarHBondContact O-N 3.21Å |
| 401 | F | 72.8 | Confident | 62.5 | Low | 91 Ų | 91 | 82 Ų | 82 | 40% | 0.399 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -107.3 | -9.6 | -171.3 | -59.9 | -67.2 | 0 | 0 | 0 | 113.2 | F377 P387 V389 D399 N403 | F377-F401 HydrophobicContact CE2-CE1 4.26Å; P387-F401 HydrophobicContact CB-CZ 4.21Å; P387-F401 HydrophobicContact CG-CZ 4.35Å; V389-F401 HydrophobicContact CG2-CE2 4.3Å; V389-F401 HydrophobicContact CG2-CZ 4.19Å; D399-F401 VanDerWaalsContact C-N 3.26Å; D399-F401 PolarHBondContact O-N 2.93Å; D399-F401 PolarHBondContact OD1-N 3.09Å; F401-N403 VanDerWaalsContact C-N 3.32Å; F401-N403 VanDerWaalsContact CB-OD1 3.27Å; F401-N403 WeakPolarHBondContact CB-OD1 3.18Å; F401-N403 PolarHBondContact O-OD1 3.1Å |
| 402 | G | 64.9 | Low | 60.8 | Low | 44 Ų | 44 | 77.5 Ų | 77.5 | 45% | 0.454 | 50% | 0.501 | S | S | . | . | trans | 75.8 | 22.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | D399 G404 | D399-G402 PolarHBondContact OD1-N 3.29Å; G402-G404 PolarHBondContact O-N 2.84Å | ||
| 403 | N | 60.6 | Low | 59.5 | Low | 100 Ų | 100 | 77 Ų | 77 | 54% | 0.535 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -82.1 | 13.8 | -178.7 | -76.5 | 72.1 | 0 | 0 | 0 | 114 | D399 F401 G405 N406 | D399-N403 PolarHBondContact OD1-N 3.02Å; D399-N403 PolarHBondContact OD2-N 3.4Å; F401-N403 VanDerWaalsContact C-N 3.32Å; F401-N403 VanDerWaalsContact CB-OD1 3.27Å; F401-N403 WeakPolarHBondContact CB-OD1 3.18Å; F401-N403 PolarHBondContact O-OD1 3.1Å; N403-G405 VanDerWaalsContact C-N 3.28Å; N403-G405 PolarHBondContact O-N 2.93Å; N403-N406 WeakPolarHBondContact O-CB 3.14Å; N403-N406 PolarHBondContact O-N 3.46Å |
| 404 | G | 54.2 | Low | 58.1 | Low | 65 Ų | 65 | 80.1 Ų | 80.1 | 67% | 0.67 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 25.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | D399 G402 N406 | D399-G404 WeakPolarHBondContact OD2-CA 3.39Å; D399-G404 PolarHBondContact OD2-N 3.38Å; G402-G404 PolarHBondContact O-N 2.84Å; G404-N406 PolarHBondContact O-N 2.94Å |
| 405 | G | 47.6 | Very low | 57.2 | Low | 51 Ų | 51 | 79.6 Ų | 79.6 | 53% | 0.526 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 11.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | D399 N403 I407 | D399-G405 PolarHBondContact OD2-N 3.26Å; N403-G405 VanDerWaalsContact C-N 3.28Å; N403-G405 PolarHBondContact O-N 2.93Å; G405-I407 PolarHBondContact O-N 3.17Å |
| 406 | N | 38.1 | Very low | 56.2 | Low | 127 Ų | 127 | 82.8 Ų | 82.8 | 68% | 0.679 | 55% | 0.551 | S | S | * | * | trans | -79.8 | 48.2 | -178 | -79.5 | -24.1 | 0 | 0 | 0 | 114.5 | N403 G404 | N403-N406 WeakPolarHBondContact O-CB 3.14Å; N403-N406 PolarHBondContact O-N 3.46Å; G404-N406 PolarHBondContact O-N 2.94Å | ||
| 407 | I | 41.6 | Very low | 54.8 | Low | 100 Ų | 100 | 84.6 Ų | 84.6 | 51% | 0.513 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -118 | 99.1 | 162.4 | -56.6 | 176.4 | 0 | 0 | 0 | 106.8 | G405 | G405-I407 PolarHBondContact O-N 3.17Š|
| 408 | A | 37.9 | Very low | 53.4 | Low | 73 Ų | 73 | 86.1 Ų | 86.1 | 60% | 0.603 | 58% | 0.582 | S | S | * | * | S | Bend | trans | 83.6 | 70.1 | -178 | 0 | 0 | 0 | 0 | 0 | 117.6 | V410 | A408-V410 VanDerWaalsContact C-N 3.27Å; A408-V410 PolarHBondContact O-N 3.1Å |
| 409 | G | 39.9 | Very low | 52.2 | Low | 83 Ų | 83 | 88.3 Ų | 88.3 | 86% | 0.856 | 59% | 0.588 | S | S | * | * | S | Bend | trans | 60.1 | 10.4 | 141 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||
| 410 | V | 40.3 | Very low | 50.9 | Low | 114 Ų | 114 | 95.8 Ų | 95.8 | 69% | 0.691 | 62% | 0.619 | S | S | * | * | trans | -96.7 | 115.9 | 176.8 | -178.6 | 0 | 0 | 0 | 0 | 108.8 | A408 | A408-V410 VanDerWaalsContact C-N 3.27Å; A408-V410 PolarHBondContact O-N 3.1Å | ||
| 411 | P | 41 | Very low | 50 | Low | 102 Ų | 102 | 102.7 Ų | 102.7 | 66% | 0.662 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 148.7 | 177.7 | 26.9 | -32.6 | 0 | 0 | 0 | 110.4 | ||
| 412 | P | 47.3 | Very low | 49 | Very low | 114 Ų | 114 | 100.8 Ų | 100.8 | 74% | 0.74 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 139.9 | 179.1 | 25.1 | -33.3 | 0 | 0 | 0 | 110 | ||
| 413 | P | 49.5 | Very low | 48.4 | Very low | 115 Ų | 115 | 100.5 Ų | 100.5 | 75% | 0.747 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 144.4 | 174.7 | 26.2 | -32.4 | 0 | 0 | 0 | 109.3 | ||
| 414 | P | 48.3 | Very low | 48.1 | Very low | 112 Ų | 112 | 100.7 Ų | 100.7 | 73% | 0.727 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 148.9 | 177.2 | 25.4 | -33.2 | 0 | 0 | 0 | 110 | ||
| 415 | P | 57.7 | Low | 48.2 | Very low | 116 Ų | 116 | 102.9 Ų | 102.9 | 75% | 0.753 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 141.8 | 178.7 | 23.8 | -32.9 | 0 | 0 | 0 | 109.9 | ||
| 416 | P | 56.9 | Low | 48.5 | Very low | 101 Ų | 101 | 104.2 Ų | 104.2 | 66% | 0.656 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 145.7 | 175.5 | 25.5 | -32.7 | 0 | 0 | 0 | 109.5 | T418 | P416-T418 PolarHBondContact O-N 3.23Š|
| 417 | P | 49.1 | Very low | 49.3 | Very low | 116 Ų | 116 | 100 Ų | 100 | 75% | 0.753 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 130.7 | 175.1 | 25.4 | -31.5 | 0 | 0 | 0 | 108.2 | T419 | P417-T419 PolarHBondContact O-N 3.3Š|
| 418 | T | 47.4 | Very low | 50 | Low | 111 Ų | 111 | 99.3 Ų | 99.3 | 68% | 0.681 | 61% | 0.612 | S | S | * | * | trans | -42.7 | 109.1 | -176.9 | 49.6 | 0 | 0 | 0 | 0 | 110.7 | P416 D422 | P416-T418 PolarHBondContact O-N 3.23Å; T418-D422 WeakPolarHBondContact CA-OD2 3.49Å; T418-D422 HydrophobicContact CG2-CB 4.44Å | ||
| 419 | T | 51.9 | Low | 50.8 | Low | 83 Ų | 83 | 102.5 Ų | 102.5 | 51% | 0.509 | 61% | 0.614 | S | S | . | * | trans | -80.8 | 159.1 | 174.8 | -7.6 | 0 | 0 | 0 | 0 | 107.2 | P417 E421 D422 | P417-T419 PolarHBondContact O-N 3.3Å; T419-E421 PolarHBondContact O-N 3.12Å; T419-D422 PolarHBondContact N-OD2 3.2Å; T419-D422 WeakPolarHBondContact O-CB 3.28Å; T419-D422 PolarHBondContact O-N 3.42Å | ||
| 420 | F | 49.9 | Very low | 51.7 | Low | 192 Ų | 192 | 101.6 Ų | 101.6 | 84% | 0.842 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -52.9 | -19.1 | 179.3 | -78.8 | -91.6 | 0 | 0 | 0 | 114.2 | A423 | F420-A423 WeakPolarHBondContact O-CB 3.23Å; F420-A423 PolarHBondContact O-N 3.17Å |
| 421 | E | 53.4 | Low | 52.6 | Low | 147 Ų | 147 | 102.3 Ų | 102.3 | 69% | 0.687 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.3 | -32 | 174.1 | -58.4 | -177.6 | 167.6 | 0 | 0 | 113 | T419 A423 D424 E425 | T419-E421 PolarHBondContact O-N 3.12Å; E421-A423 PolarHBondContact O-N 2.97Å; E421-D424 PolarHBondContact O-N 3.37Å; E421-E425 PolarHBondContact O-N 3.14Å |
| 422 | D | 51.7 | Low | 53.6 | Low | 50 Ų | 50 | 101.1 Ų | 101.1 | 27% | 0.267 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -71.6 | -20.8 | 177.7 | -59.5 | -60.1 | 0 | 0 | 0 | 112.2 | T418 T419 Q426 | T418-D422 WeakPolarHBondContact CA-OD2 3.49Å; T418-D422 HydrophobicContact CG2-CB 4.44Å; T419-D422 PolarHBondContact N-OD2 3.2Å; T419-D422 WeakPolarHBondContact O-CB 3.28Å; T419-D422 PolarHBondContact O-N 3.42Å; D422-Q426 WeakPolarHBondContact O-CB 3.49Å; D422-Q426 WeakPolarHBondContact O-CG 3.46Å; D422-Q426 PolarHBondContact O-N 3.21Å; D422-Q426 PolarHBondContact O-NE2 2.83Å |
| 423 | A | 51.9 | Low | 54.5 | Low | 38 Ų | 38 | 99.4 Ų | 99.4 | 31% | 0.314 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -72.9 | -40.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | F420 E421 E425 Q426 I427 | F420-A423 WeakPolarHBondContact O-CB 3.23Å; F420-A423 PolarHBondContact O-N 3.17Å; E421-A423 PolarHBondContact O-N 2.97Å; A423-E425 VanDerWaalsContact C-N 3.3Å; A423-E425 PolarHBondContact O-N 3.49Å; A423-Q426 PolarHBondContact O-N 3.36Å; A423-I427 WeakPolarHBondContact O-CB 3.49Å; A423-I427 VanDerWaalsContact O-CD1 3.28Å; A423-I427 WeakPolarHBondContact O-CD1 3.49Å; A423-I427 WeakPolarHBondContact O-CG1 3.25Å; A423-I427 PolarHBondContact O-N 3.16Å |
| 424 | D | 55.3 | Low | 55.6 | Low | 104 Ų | 104 | 100.4 Ų | 100.4 | 56% | 0.556 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.8 | -35.4 | 175.4 | -69.5 | -21.1 | 0 | 0 | 0 | 111.2 | E421 A428 | E421-D424 PolarHBondContact O-N 3.37Å; D424-A428 WeakPolarHBondContact O-CB 3.21Å; D424-A428 PolarHBondContact O-N 3.36Å |
| 425 | E | 56.2 | Low | 57.2 | Low | 112 Ų | 112 | 107.5 Ų | 107.5 | 52% | 0.523 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -70.3 | -41 | 172.3 | -69.3 | -170.3 | 172.2 | 0 | 0 | 112.3 | E421 A423 I427 A428 H429 | E421-E425 PolarHBondContact O-N 3.14Å; A423-E425 VanDerWaalsContact C-N 3.3Å; A423-E425 PolarHBondContact O-N 3.49Å; E425-I427 VanDerWaalsContact C-N 3.28Å; E425-I427 PolarHBondContact O-N 3.34Å; E425-A428 CarbonylContact O-C 3.22Å; E425-A428 PolarHBondContact O-N 2.62Å; E425-H429 WeakPolarHBondContact O-CB 3.44Å; E425-H429 PolarHBondContact O-CD2 3.45Å; E425-H429 PolarHBondContact O-N 3.39Å |
| 426 | Q | 53.4 | Low | 58.2 | Low | 78 Ų | 78 | 105.4 Ų | 105.4 | 36% | 0.364 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.3 | -31.8 | 175.3 | -77 | 167.3 | 64.1 | 0 | 0 | 113.1 | D422 A423 G430 N431 I432 | D422-Q426 WeakPolarHBondContact O-CB 3.49Å; D422-Q426 WeakPolarHBondContact O-CG 3.46Å; D422-Q426 PolarHBondContact O-N 3.21Å; D422-Q426 PolarHBondContact O-NE2 2.83Å; A423-Q426 PolarHBondContact O-N 3.36Å; Q426-G430 PolarHBondContact O-N 3.42Å; Q426-N431 PolarHBondContact O-N 3.49Å; Q426-I432 HydrophobicContact CB-CD1 3.85Å; Q426-I432 HydrophobicContact CB-CG1 4.41Å |
| 427 | I | 55.6 | Low | 59 | Low | 39 Ų | 39 | 105.9 Ų | 105.9 | 20% | 0.2 | 58% | 0.577 | C | S | . | * | H | α-helix | trans | -72 | -43.6 | 172 | -66.2 | 160.8 | 0 | 0 | 0 | 110.2 | A423 E425 H429 G430 I432 Y434 | A423-I427 WeakPolarHBondContact O-CB 3.49Å; A423-I427 VanDerWaalsContact O-CD1 3.28Å; A423-I427 WeakPolarHBondContact O-CD1 3.49Å; A423-I427 WeakPolarHBondContact O-CG1 3.25Å; A423-I427 PolarHBondContact O-N 3.16Å; E425-I427 VanDerWaalsContact C-N 3.28Å; E425-I427 PolarHBondContact O-N 3.34Å; I427-H429 VanDerWaalsContact C-N 3.25Å; I427-H429 PolarHBondContact O-N 3.22Å; I427-G430 PolarHBondContact O-N 2.94Å; I427-G430 VanDerWaalsContact O-N 3.11Å; I427-I432 HydrophobicContact CG1-CB 3.92Å; I427-I432 HydrophobicContact CG1-CG2 4.11Å; I427-Y434 HydrophobicContact CD1-CE1 3.91Å; I427-Y434 HydrophobicContact CD1-CE2 4.49Å; I427-Y434 HydrophobicContact CG2-CD2 4.09Å; I427-Y434 HydrophobicContact CG2-CE2 3.41Å; I427-Y434 VanDerWaalsContact CG2-CE2 3.41Å |
| 428 | A | 56.1 | Low | 60.1 | Low | 86 Ų | 86 | 107.9 Ų | 107.9 | 71% | 0.711 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.2 | -27.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | D424 E425 G430 | D424-A428 WeakPolarHBondContact O-CB 3.21Å; D424-A428 PolarHBondContact O-N 3.36Å; E425-A428 CarbonylContact O-C 3.22Å; E425-A428 PolarHBondContact O-N 2.62Å; A428-G430 VanDerWaalsContact C-N 3.31Å |
| 429 | H | 55 | Low | 60.9 | Low | 139 Ų | 139 | 110.6 Ų | 110.6 | 64% | 0.644 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | 8.2 | 175.3 | -70.2 | -57.8 | 0 | 0 | 0 | 113.7 | E425 I427 N431 | E425-H429 WeakPolarHBondContact O-CB 3.44Å; E425-H429 PolarHBondContact O-CD2 3.45Å; E425-H429 PolarHBondContact O-N 3.39Å; I427-H429 VanDerWaalsContact C-N 3.25Å; I427-H429 PolarHBondContact O-N 3.22Å; H429-N431 VanDerWaalsContact C-N 3.31Å; H429-N431 PolarHBondContact O-N 2.98Å |
| 430 | G | 57.9 | Low | 61.2 | Low | 64 Ų | 64 | 110 Ų | 110 | 66% | 0.66 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75.3 | 10.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q426 I427 A428 | Q426-G430 PolarHBondContact O-N 3.42Å; I427-G430 PolarHBondContact O-N 2.94Å; I427-G430 VanDerWaalsContact O-N 3.11Å; A428-G430 VanDerWaalsContact C-N 3.31Å |
| 431 | N | 59.8 | Low | 61.5 | Low | 130 Ų | 130 | 107.4 Ų | 107.4 | 70% | 0.695 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -87.1 | -13.6 | -178.7 | -72.2 | -19.8 | 0 | 0 | 0 | 113.2 | Q426 H429 | Q426-N431 PolarHBondContact O-N 3.49Å; H429-N431 VanDerWaalsContact C-N 3.31Å; H429-N431 PolarHBondContact O-N 2.98Å |
| 432 | I | 61.7 | Low | 61.3 | Low | 76 Ų | 76 | 108.9 Ų | 108.9 | 39% | 0.39 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -140.9 | 109.7 | -179.1 | -55.9 | 172.9 | 0 | 0 | 0 | 107.6 | Q426 I427 | Q426-I432 HydrophobicContact CB-CD1 3.85Å; Q426-I432 HydrophobicContact CB-CG1 4.41Å; I427-I432 HydrophobicContact CG1-CB 3.92Å; I427-I432 HydrophobicContact CG1-CG2 4.11Å |
| 433 | S | 65.9 | Low | 61 | Low | 78 Ų | 78 | 113.8 Ų | 113.8 | 55% | 0.545 | 61% | 0.608 | S | S | . | * | trans | -81.2 | 146.3 | 169.4 | 174.1 | 0 | 0 | 0 | 0 | 110 | E437 | S433-E437 WeakPolarHBondContact CB-OE2 3.35Å; S433-E437 WeakPolarHBondContact OG-CB 3.47Å; S433-E437 PolarHBondContact OG-OE2 3.24Å | ||
| 434 | Y | 72.5 | Confident | 60.6 | Low | 136 Ų | 136 | 116.4 Ų | 116.4 | 53% | 0.533 | 62% | 0.624 | S | S | . | * | trans | -70.2 | 137.2 | 173.7 | -73 | -76.7 | 0 | 0 | 0 | 109.9 | I427 G436 E437 | I427-Y434 HydrophobicContact CD1-CE1 3.91Å; I427-Y434 HydrophobicContact CD1-CE2 4.49Å; I427-Y434 HydrophobicContact CG2-CD2 4.09Å; I427-Y434 HydrophobicContact CG2-CE2 3.41Å; I427-Y434 VanDerWaalsContact CG2-CE2 3.41Å; Y434-G436 PolarHBondContact O-N 3.27Å; Y434-E437 PolarHBondContact N-OE2 3.4Å; Y434-E437 WeakPolarHBondContact O-CB 3.49Å; Y434-E437 PolarHBondContact O-N 3.38Å | ||
| 435 | W | 81.1 | Confident | 60.1 | Low | 262 Ų | 262 | 120.3 Ų | 120.3 | 99% | 0.992 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | 115.8 | 172 | -172.8 | 81.6 | 0 | 0 | 0 | 110 | ||
| 436 | G | 80.2 | Confident | 59.6 | Low | 71 Ų | 71 | 118.1 Ų | 118.1 | 73% | 0.732 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 95.1 | 9.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y434 L438 | Y434-G436 PolarHBondContact O-N 3.27Å; G436-L438 PolarHBondContact O-N 3.49Å |
| 437 | E | 73.3 | Confident | 59.2 | Low | 112 Ų | 112 | 123.2 Ų | 123.2 | 52% | 0.523 | 67% | 0.67 | S | S | . | * | P | Polyproline II helix | trans | -63.2 | 122.5 | 160 | -170.7 | 164.4 | -157.6 | 0 | 0 | 108.2 | S433 Y434 E439 | S433-E437 WeakPolarHBondContact CB-OE2 3.35Å; S433-E437 WeakPolarHBondContact OG-CB 3.47Å; S433-E437 PolarHBondContact OG-OE2 3.24Å; Y434-E437 PolarHBondContact N-OE2 3.4Å; Y434-E437 WeakPolarHBondContact O-CB 3.49Å; Y434-E437 PolarHBondContact O-N 3.38Å; E437-E439 PolarHBondContact O-N 3Å |
| 438 | L | 72.4 | Confident | 58.5 | Low | 158 Ų | 158 | 130.5 Ų | 130.5 | 83% | 0.827 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -66 | 117.9 | 172.2 | -77.2 | 156.2 | 0 | 0 | 0 | 106.5 | G436 S440 | G436-L438 PolarHBondContact O-N 3.49Å; L438-S440 PolarHBondContact O-N 2.93Å |
| 439 | E | 64.6 | Low | 57.7 | Low | 167 Ų | 167 | 129.9 Ų | 129.9 | 78% | 0.78 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -51 | 131.7 | 163.7 | -69.1 | 172.3 | 178.7 | 0 | 0 | 106.9 | E437 D441 | E437-E439 PolarHBondContact O-N 3Å; E439-D441 PolarHBondContact O-N 2.93Å; E439-D441 VanDerWaalsContact O-N 3.16Å |
| 440 | S | 57.6 | Low | 56.9 | Low | 71 Ų | 71 | 130.6 Ų | 130.6 | 50% | 0.497 | 71% | 0.714 | S | S | . | * | P | Polyproline II helix | trans | -58.7 | 123.9 | -177.2 | 46.1 | 0 | 0 | 0 | 0 | 109 | L438 E442 E443 | L438-S440 PolarHBondContact O-N 2.93Å; S440-E442 PolarHBondContact O-N 3.1Å; S440-E443 PolarHBondContact O-N 3.4Å |
| 441 | D | 55.1 | Low | 55.8 | Low | 138 Ų | 138 | 135.7 Ų | 135.7 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.1 | -15.1 | 179.4 | -62.7 | -35.9 | 0 | 0 | 0 | 113.2 | E439 E443 S444 | E439-D441 PolarHBondContact O-N 2.93Å; E439-D441 VanDerWaalsContact O-N 3.16Å; D441-E443 PolarHBondContact O-N 3.33Å; D441-S444 PolarHBondContact O-N 3.45Å |
| 442 | E | 50.2 | Low | 54.8 | Low | 178 Ų | 178 | 136.2 Ų | 136.2 | 83% | 0.832 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -23 | 175 | -65.7 | -176.5 | 176.8 | 0 | 0 | 114.6 | S440 | S440-E442 PolarHBondContact O-N 3.1Š|
| 443 | E | 46.3 | Very low | 53.7 | Low | 153 Ų | 153 | 141.7 Ų | 141.7 | 72% | 0.715 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -20.4 | 174.3 | -77.8 | -173.5 | 159.9 | 0 | 0 | 112.6 | S440 D441 | S440-E443 PolarHBondContact O-N 3.4Å; D441-E443 PolarHBondContact O-N 3.33Å |
| 444 | S | 42 | Very low | 52.5 | Low | 93 Ų | 93 | 145.7 Ų | 145.7 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -82.4 | -20.3 | -177.8 | -173.4 | 0 | 0 | 0 | 0 | 114.2 | D441 G446 | D441-S444 PolarHBondContact O-N 3.45Å; S444-G446 VanDerWaalsContact C-N 3.3Å |
| 445 | E | 44.9 | Very low | 50.8 | Low | 185 Ų | 185 | 144.8 Ų | 144.8 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -86.4 | 1.3 | 176.8 | -66.7 | -159.3 | 172.5 | 0 | 0 | 113.3 | ||
| 446 | G | 46.3 | Very low | 48.9 | Very low | 66 Ų | 66 | 138.7 Ų | 138.7 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -93.8 | -9.9 | 180 | 0 | 0 | 0 | 0 | 0 | 116.3 | S444 | S444-G446 VanDerWaalsContact C-N 3.3Š|
| 447 | E | 44.6 | Very low | 47.1 | Very low | 185 Ų | 185 | 141.3 Ų | 141.3 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -111.2 | 2.9 | -172.3 | -83.6 | -169.3 | 156.6 | 0 | 0 | 115.6 | ||
| 448 | E | 41 | Very low | 45.6 | Very low | 192 Ų | 192 | 144.4 Ų | 144.4 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -113.9 | 25.2 | 179 | -69.3 | -161.6 | 163.4 | 0 | 0 | 115.2 | ||
| 449 | G | 40.3 | Very low | 44.1 | Very low | 73 Ų | 73 | 141.3 Ų | 141.3 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | trans | -107.1 | 3.8 | -175 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 450 | D | 36.8 | Very low | 43.1 | Very low | 155 Ų | 155 | 140 Ų | 140 | 83% | 0.829 | 76% | 0.762 | S | S | * | * | trans | -100.8 | 79.6 | -174 | -125.7 | 6.4 | 0 | 0 | 0 | 110.9 | ||||
| 451 | Q | 34.3 | Very low | 42.4 | Very low | 171 Ų | 171 | 144.8 Ų | 144.8 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | trans | -178.7 | 125.9 | 153.1 | -102.5 | 148.5 | 87.2 | 0 | 0 | 112.6 | ||||
| 452 | D | 39.1 | Very low | 41.8 | Very low | 141 Ų | 141 | 144.4 Ų | 144.4 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | trans | 77.4 | 111.2 | 152.5 | -50.1 | -28 | 0 | 0 | 0 | 118.6 | ||||
| 453 | M | 38.6 | Very low | 41.3 | Very low | 191 Ų | 191 | 145.2 Ų | 145.2 | 94% | 0.941 | 78% | 0.779 | S | S | * | * | 174.2 | 85.5 | 128.5 | -82.2 | -89.9 | -158.1 | 0 | 0 | 110.3 | |||||
| 454 | D | 40.7 | Very low | 40.7 | Very low | 162 Ų | 162 | 142.9 Ų | 142.9 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | trans | -83.3 | 142.8 | 152.3 | -88.1 | -37.9 | 0 | 0 | 0 | 108.4 | ||||
| 455 | T | 37.2 | Very low | 40.6 | Very low | 117 Ų | 117 | 142.9 Ų | 142.9 | 72% | 0.718 | 79% | 0.791 | S | S | * | * | trans | 152.8 | 110.7 | 148.3 | -78.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 456 | D | 41.4 | Very low | 40.2 | Very low | 134 Ų | 134 | 141.1 Ų | 141.1 | 72% | 0.717 | 79% | 0.793 | S | S | * | * | trans | 57.4 | 145 | 133.9 | -50.3 | -5.9 | 0 | 0 | 0 | 119.9 | ||||
| 457 | D | 42.5 | Very low | 39.8 | Very low | 125 Ų | 125 | 143.5 Ų | 143.5 | 67% | 0.668 | 80% | 0.799 | S | S | * | * | cis | -175.2 | 156.1 | -4.1 | -114.8 | -30.2 | 0 | 0 | 0 | 107.3 | ||||
| 458 | E | 42 | Very low | 39.3 | Very low | 178 Ų | 178 | 139.1 Ų | 139.1 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | 63.6 | 142 | 147.5 | -66.7 | -169.1 | 178.3 | 0 | 0 | 120.5 | ||||
| 459 | S | 41.3 | Very low | 39.1 | Very low | 92 Ų | 92 | 139.2 Ų | 139.2 | 64% | 0.643 | 80% | 0.797 | S | S | * | * | cis | -165 | 176.2 | 11.5 | 58.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 460 | D | 42.3 | Very low | 38.8 | Very low | 140 Ų | 140 | 140.4 Ų | 140.4 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | trans | 93.8 | 82.7 | 160.3 | -52.1 | -6.3 | 0 | 0 | 0 | 116.4 | ||||
| 461 | E | 43.1 | Very low | 38.8 | Very low | 172 Ų | 172 | 142 Ų | 142 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | 76.1 | 123.9 | 83 | -72.7 | -162.6 | 166.4 | 0 | 0 | 116.3 | |||||
| 462 | D | 43.3 | Very low | 38.9 | Very low | 130 Ų | 130 | 139.5 Ų | 139.5 | 70% | 0.695 | 80% | 0.804 | S | S | * | * | trans | 77.9 | 91.3 | 145.8 | -59.3 | -15.1 | 0 | 0 | 0 | 121.5 | ||||
| 463 | Q | 38.3 | Very low | 38.7 | Very low | 195 Ų | 195 | 142.3 Ų | 142.3 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | 177.5 | 109.8 | 101.9 | -94.9 | 170.7 | 59.5 | 0 | 0 | 111.8 | |||||
| 464 | A | 35.6 | Very low | 38.7 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -80.9 | 118.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 465 | A | 38.4 | Very low | 38.7 | Very low | 93 Ų | 93 | 139.7 Ų | 139.7 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | 179.9 | 87.4 | 148.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 466 | T | 36.4 | Very low | 38.8 | Very low | 148 Ų | 148 | 143.6 Ų | 143.6 | 91% | 0.908 | 81% | 0.813 | S | S | * | * | trans | -175.5 | 87.5 | 138.6 | 48.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 467 | S | 38.6 | Very low | 38.7 | Very low | 116 Ų | 116 | 146.4 Ų | 146.4 | 81% | 0.811 | 82% | 0.824 | S | S | * | * | trans | -71.2 | 132.1 | 163.7 | 49 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 468 | A | 34 | Very low | 38.4 | Very low | 93 Ų | 93 | 148 Ų | 148 | 77% | 0.769 | 83% | 0.831 | S | S | * | * | trans | 53.5 | 105.8 | 144.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 469 | M | 37 | Very low | 38.1 | Very low | 193 Ų | 193 | 145.1 Ų | 145.1 | 95% | 0.951 | 83% | 0.826 | S | S | * | * | trans | -168.7 | 137.7 | 135.3 | -108.5 | 177.3 | 180 | 0 | 0 | 112.8 | ||||
| 470 | A | 35 | Very low | 37.9 | Very low | 99 Ų | 99 | 147.2 Ų | 147.2 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | trans | 83.3 | 84 | 147.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 471 | E | 35.3 | Very low | 37.8 | Very low | 188 Ų | 188 | 148.1 Ų | 148.1 | 88% | 0.879 | 84% | 0.839 | S | S | * | * | -54 | 161.2 | 127.7 | -68.6 | 177.9 | 139.4 | 0 | 0 | 111.2 | |||||
| 472 | S | 37.1 | Very low | 37.6 | Very low | 119 Ų | 119 | 145.1 Ų | 145.1 | 83% | 0.832 | 84% | 0.835 | S | S | * | * | trans | 80.6 | 85.5 | 162.1 | 168.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 473 | E | 35.4 | Very low | 37.1 | Very low | 200 Ų | 200 | 144.4 Ų | 144.4 | 94% | 0.935 | 84% | 0.84 | S | S | * | * | trans | -149.5 | 75.3 | 151.1 | -152.5 | 170.5 | -169.1 | 0 | 0 | 112.4 | ||||
| 474 | A | 37.2 | Very low | 37.2 | Very low | 92 Ų | 92 | 139.7 Ų | 139.7 | 76% | 0.76 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -158.3 | 62.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 475 | K | 41.9 | Very low | 37.1 | Very low | 206 Ų | 206 | 138.1 Ų | 138.1 | 90% | 0.896 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -174.8 | 125.9 | 163.1 | -102.2 | 148.6 | -171.1 | 176.1 | 0 | 111.9 | ||
| 476 | K | 38.1 | Very low | 37.2 | Very low | 199 Ų | 199 | 139.3 Ų | 139.3 | 87% | 0.865 | 83% | 0.831 | S | S | * | * | trans | 87.2 | 94.9 | 159.6 | -65.6 | 176.1 | 172.7 | 177.2 | 0 | 119.8 | ||||
| 477 | M | 40.3 | Very low | 37.5 | Very low | 193 Ų | 193 | 139 Ų | 139 | 95% | 0.951 | 82% | 0.822 | S | S | * | * | -128.4 | 102.9 | 129.1 | -78.9 | -171.6 | 162.1 | 0 | 0 | 105.5 | |||||
| 478 | L | 35.5 | Very low | 37.7 | Very low | 157 Ų | 157 | 139.5 Ų | 139.5 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | 72.5 | 94.5 | 71.6 | -162.6 | 75.9 | 0 | 0 | 0 | 114.4 | |||||
| 479 | V | 36.3 | Very low | 38.1 | Very low | 119 Ų | 119 | 145.1 Ų | 145.1 | 72% | 0.721 | 82% | 0.824 | S | S | * | * | trans | 60.5 | 116.1 | 134.4 | -179.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 480 | T | 36.6 | Very low | 38.3 | Very low | 136 Ų | 136 | 142 Ų | 142 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | -176.1 | 130.5 | 107.7 | -66 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 481 | L | 40.7 | Very low | 38.7 | Very low | 158 Ų | 158 | 144.9 Ų | 144.9 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | trans | -72.5 | -176.7 | 178.4 | -81.9 | 150.7 | 0 | 0 | 0 | 113.5 | ||||
| 482 | P | 38.2 | Very low | 39 | Very low | 110 Ų | 110 | 143.4 Ų | 143.4 | 71% | 0.714 | 82% | 0.817 | S | S | * | * | cis | -136 | 177.6 | -14.6 | 22 | 2.6 | 0 | 0 | 0 | 114.9 | ||||
| 483 | S | 33.6 | Very low | 39.2 | Very low | 115 Ų | 115 | 144.9 Ų | 144.9 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | 120.5 | 124 | 131.2 | -156.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 484 | A | 40.2 | Very low | 39.4 | Very low | 95 Ų | 95 | 139.1 Ų | 139.1 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | 71.5 | 102.8 | 148.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 485 | G | 34 | Very low | 39.5 | Very low | 72 Ų | 72 | 138.4 Ų | 138.4 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | 109 | 123.4 | 110.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 486 | S | 39.8 | Very low | 39.7 | Very low | 117 Ų | 117 | 136.5 Ų | 136.5 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | 85.2 | 87.6 | 151.7 | 67.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 487 | I | 43.3 | Very low | 40 | Very low | 142 Ų | 142 | 134 Ų | 134 | 73% | 0.728 | 82% | 0.816 | S | S | * | * | 6 | 133.8 | 127.1 | -47 | 167.6 | 0 | 0 | 0 | 117.3 | R489 | I487-R489 HydrophobicContact CG2-CG 4.25Š| |||
| 488 | P | 42.7 | Very low | 40.4 | Very low | 126 Ų | 126 | 130.7 Ų | 130.7 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -110.9 | 126 | 147.6 | 33.6 | -21.5 | 0 | 0 | 0 | 111.6 | ||||
| 489 | R | 42.2 | Very low | 40.6 | Very low | 211 Ų | 211 | 129.2 Ų | 129.2 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | trans | -90.4 | 145 | 161.2 | -62.1 | -178.3 | -160.7 | -141 | 2.1 | 108.4 | I487 | I487-R489 HydrophobicContact CG2-CG 4.25Š| ||
| 490 | P | 40.6 | Very low | 40.9 | Very low | 129 Ų | 129 | 128.5 Ų | 128.5 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | trans | -83.9 | 129.4 | 167.4 | 32.4 | -27.7 | 0 | 0 | 0 | 109.6 | ||||
| 491 | L | 44.4 | Very low | 41.1 | Very low | 158 Ų | 158 | 126.2 Ų | 126.2 | 83% | 0.827 | 82% | 0.817 | S | S | * | * | trans | -123.7 | 126.7 | 169.7 | -77.9 | 176.4 | 0 | 0 | 0 | 110.3 | ||||
| 492 | D | 41.2 | Very low | 41.3 | Very low | 158 Ų | 158 | 122.4 Ų | 122.4 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | trans | 45.5 | 134.2 | 143.3 | -96.4 | -27.8 | 0 | 0 | 0 | 123.4 | ||||
| 493 | V | 41.1 | Very low | 41.5 | Very low | 149 Ų | 149 | 125.5 Ų | 125.5 | 90% | 0.903 | 83% | 0.826 | S | S | * | * | trans | -94.5 | 125.8 | 177.2 | -176.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 494 | G | 39.5 | Very low | 42 | Very low | 79 Ų | 79 | 127.8 Ų | 127.8 | 81% | 0.814 | 83% | 0.827 | S | S | * | * | trans | 167.8 | 117.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 495 | G | 40.3 | Very low | 42.2 | Very low | 77 Ų | 77 | 129.4 Ų | 129.4 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | trans | 115.5 | 90.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 496 | L | 44.6 | Very low | 43 | Very low | 166 Ų | 166 | 131.3 Ų | 131.3 | 87% | 0.869 | 83% | 0.827 | S | S | * | * | 60.6 | 77.2 | 61.8 | -153.8 | 86.3 | 0 | 0 | 0 | 114 | |||||
| 497 | V | 45 | Very low | 43.1 | Very low | 147 Ų | 147 | 131.3 Ų | 131.3 | 89% | 0.891 | 83% | 0.827 | S | S | * | * | trans | -149.6 | 122.7 | 144.3 | -172.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 498 | T | 47.6 | Very low | 43.1 | Very low | 124 Ų | 124 | 128.4 Ų | 128.4 | 76% | 0.761 | 83% | 0.832 | S | S | * | * | trans | -77.9 | 153.5 | 179.8 | -46.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 499 | P | 41.7 | Very low | 43.1 | Very low | 125 Ų | 125 | 129.4 Ų | 129.4 | 81% | 0.812 | 84% | 0.835 | S | S | * | * | trans | -96.7 | 160.1 | -157.4 | 37.6 | -33.1 | 0 | 0 | 0 | 115 | ||||
| 500 | A | 41.8 | Very low | 43.1 | Very low | 105 Ų | 105 | 125 Ų | 125 | 87% | 0.868 | 84% | 0.837 | S | S | * | * | trans | -154.4 | 130.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 501 | G | 41.6 | Very low | 43.1 | Very low | 88 Ų | 88 | 123.8 Ų | 123.8 | 91% | 0.907 | 83% | 0.831 | S | S | * | * | trans | 87.3 | 112.6 | 143.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 502 | G | 43.1 | Very low | 43 | Very low | 78 Ų | 78 | 122.9 Ų | 122.9 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | trans | 175.1 | 62.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 503 | L | 43.1 | Very low | 42.9 | Very low | 174 Ų | 174 | 118.6 Ų | 118.6 | 91% | 0.911 | 83% | 0.825 | S | S | * | * | trans | -75.4 | 111.5 | 179.9 | -170.7 | 90.7 | 0 | 0 | 0 | 111.3 | ||||
| 504 | I | 45.2 | Very low | 42.9 | Very low | 163 Ų | 163 | 117 Ų | 117 | 84% | 0.836 | 83% | 0.827 | S | S | * | * | trans | -151.6 | 102.7 | 163.1 | -32.9 | 164.7 | 0 | 0 | 0 | 111.5 | ||||
| 505 | T | 44.1 | Very low | 43 | Very low | 129 Ų | 129 | 116.4 Ų | 116.4 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | trans | -129.2 | 167.3 | 150 | 54.4 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 506 | P | 50.3 | Low | 43.2 | Very low | 112 Ų | 112 | 120.7 Ų | 120.7 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | cis | -149.8 | -168.7 | 23.1 | 37.3 | -12.9 | 0 | 0 | 0 | 115.3 | ||||
| 507 | S | 40.8 | Very low | 43.5 | Very low | 118 Ų | 118 | 121.2 Ų | 121.2 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | trans | 122.8 | 111.2 | 144.6 | -50.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 508 | G | 45.3 | Very low | 43.6 | Very low | 80 Ų | 80 | 120.4 Ų | 120.4 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | -166 | 92.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 509 | V | 41.7 | Very low | 43.6 | Very low | 148 Ų | 148 | 120.1 Ų | 120.1 | 90% | 0.897 | 82% | 0.819 | S | S | * | * | trans | -74.7 | 142 | -175.1 | -70.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 510 | S | 42.2 | Very low | 43.5 | Very low | 119 Ų | 119 | 123.3 Ų | 123.3 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | trans | -159.8 | 121.7 | 142.2 | -155.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 511 | S | 41 | Very low | 43.3 | Very low | 102 Ų | 102 | 123.6 Ų | 123.6 | 71% | 0.713 | 82% | 0.819 | S | S | * | * | trans | -60.6 | 153.7 | 172.8 | 51.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 512 | V | 42.1 | Very low | 43.2 | Very low | 139 Ų | 139 | 127.5 Ų | 127.5 | 84% | 0.842 | 82% | 0.816 | S | S | * | * | -171.9 | 123.9 | 83.2 | 163.7 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 513 | G | 39.3 | Very low | 43.4 | Very low | 69 Ų | 69 | 131.1 Ų | 131.1 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | 99.8 | 93 | 108.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 514 | A | 40.7 | Very low | 43.6 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 94% | 0.942 | 81% | 0.807 | S | S | * | * | 77.1 | 115.6 | 83.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 515 | G | 41.8 | Very low | 43.8 | Very low | 67 Ų | 67 | 130.3 Ų | 130.3 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | trans | 153.5 | 109.2 | 156.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 516 | L | 45.2 | Very low | 44.1 | Very low | 168 Ų | 168 | 133.1 Ų | 133.1 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | trans | 72.6 | 111.8 | 155.7 | -74.1 | 93.6 | 0 | 0 | 0 | 118.7 | ||||
| 517 | E | 51 | Low | 44.4 | Very low | 177 Ų | 177 | 135.2 Ų | 135.2 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | 47.7 | 124.6 | 63.4 | -70 | -172.7 | 159.1 | 0 | 0 | 112.7 | |||||
| 518 | T | 46.3 | Very low | 45.2 | Very low | 129 Ų | 129 | 138.1 Ų | 138.1 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | cis | -166.9 | 153.5 | 16.1 | 17 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 519 | P | 46.7 | Very low | 45.9 | Very low | 118 Ų | 118 | 139 Ų | 139 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | trans | -96.6 | 140.6 | 175.8 | 35.2 | -27.9 | 0 | 0 | 0 | 111.7 | ||||
| 520 | Q | 40.3 | Very low | 46.8 | Very low | 193 Ų | 193 | 136.6 Ų | 136.6 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | trans | 177.6 | 151.4 | 149.3 | -102.1 | 167.9 | 20.1 | 0 | 0 | 111.6 | ||||
| 521 | S | 38.6 | Very low | 47.6 | Very low | 111 Ų | 111 | 136.2 Ų | 136.2 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | 88.3 | 107 | 166.5 | 79.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 522 | M | 38.4 | Very low | 48.6 | Very low | 170 Ų | 170 | 138.1 Ų | 138.1 | 84% | 0.837 | 75% | 0.752 | S | S | * | * | 68 | 84.5 | 126.4 | -159.4 | 157.7 | -166.9 | 0 | 0 | 119.2 | |||||
| 523 | I | 47.2 | Very low | 49.4 | Very low | 154 Ų | 154 | 134.6 Ų | 134.6 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | trans | -139.3 | 91 | 138.2 | -65 | 94.8 | 0 | 0 | 0 | 108.7 | ||||
| 524 | E | 47.6 | Very low | 50.3 | Low | 158 Ų | 158 | 137.5 Ų | 137.5 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | trans | -84.4 | 151.9 | 156.6 | -72.4 | 179.7 | 147.2 | 0 | 0 | 109.1 | ||||
| 525 | L | 49.3 | Very low | 51.2 | Low | 162 Ų | 162 | 139 Ų | 139 | 85% | 0.848 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 68.9 | 59.5 | 157.5 | -59.3 | 156.5 | 0 | 0 | 0 | 118.8 | ||
| 526 | R | 50.8 | Low | 51.8 | Low | 188 Ų | 188 | 143 Ų | 143 | 71% | 0.709 | 73% | 0.727 | S | S | * | * | trans | -139.3 | -1.9 | 153.3 | -70.3 | -166.9 | -163.2 | 134.9 | 6.9 | 116.5 | ||||
| 527 | K | 55.3 | Low | 52.2 | Low | 155 Ų | 155 | 139.4 Ų | 139.4 | 67% | 0.674 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -77.4 | -26.4 | -172.7 | -160.7 | 175.1 | 176.4 | -166.6 | 0 | 114.8 | I530 E531 | K527-I530 PolarHBondContact O-N 3.11Å; K527-E531 PolarHBondContact O-N 3.16Å |
| 528 | K | 58.1 | Low | 52 | Low | 180 Ų | 180 | 135.7 Ų | 135.7 | 78% | 0.783 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -69.3 | -33.2 | 176.9 | -79.5 | -172.6 | 171.5 | -173.5 | 0 | 113.3 | I530 E532 | K528-I530 VanDerWaalsContact C-N 3.29Å; K528-I530 PolarHBondContact O-N 3.44Å; K528-E532 PolarHBondContact O-N 3.34Å |
| 529 | T | 60 | Low | 51.7 | Low | 98 Ų | 98 | 133.5 Ų | 133.5 | 60% | 0.601 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -77.4 | -17.1 | 179.8 | -21.5 | 0 | 0 | 0 | 0 | 112.8 | A533 | T529-A533 VanDerWaalsContact O-CB 3.31Å; T529-A533 WeakPolarHBondContact O-CB 3.14Å; T529-A533 PolarHBondContact O-N 3.01Å |
| 530 | I | 60.1 | Low | 51.3 | Low | 98 Ų | 98 | 135.3 Ų | 135.3 | 50% | 0.503 | 71% | 0.712 | S | S | . | * | H | α-helix | trans | -88.2 | -31 | 175.8 | -63.9 | 166.5 | 0 | 0 | 0 | 111.1 | K527 K528 M534 | K527-I530 PolarHBondContact O-N 3.11Å; K528-I530 VanDerWaalsContact C-N 3.29Å; K528-I530 PolarHBondContact O-N 3.44Å; I530-M534 HydrophobicContact CG2-SD 4.36Å; I530-M534 WeakPolarHBondContact O-CB 3.12Å; I530-M534 WeakPolarHBondContact O-CG 3.37Å; I530-M534 PolarHBondContact O-N 2.82Å |
| 531 | E | 60.3 | Low | 51.2 | Low | 111 Ų | 111 | 131.9 Ų | 131.9 | 52% | 0.519 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -68.3 | -39.9 | 171.6 | -79.7 | 170.6 | -177.5 | 0 | 0 | 111 | K527 A533 M534 E535 | K527-E531 PolarHBondContact O-N 3.16Å; E531-A533 PolarHBondContact O-N 3.04Å; E531-M534 PolarHBondContact O-N 3.18Å; E531-E535 PolarHBondContact O-N 3.37Å |
| 532 | E | 61.8 | Low | 51.2 | Low | 141 Ų | 141 | 132.4 Ų | 132.4 | 66% | 0.659 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -69.5 | -32.2 | 175.7 | -146.1 | 166.8 | -158.9 | 0 | 0 | 112.4 | K528 | K528-E532 PolarHBondContact O-N 3.34Å |
| 533 | A | 59 | Low | 51.4 | Low | 66 Ų | 66 | 129.1 Ų | 129.1 | 55% | 0.545 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -81.9 | -15.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | T529 E531 | T529-A533 VanDerWaalsContact O-CB 3.31Å; T529-A533 WeakPolarHBondContact O-CB 3.14Å; T529-A533 PolarHBondContact O-N 3.01Å; E531-A533 PolarHBondContact O-N 3.04Å |
| 534 | M | 57.8 | Low | 51.3 | Low | 130 Ų | 130 | 127 Ų | 127 | 64% | 0.64 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -85.8 | -25.6 | 174.3 | -85.2 | -178.6 | 63.4 | 0 | 0 | 112.7 | I530 E531 S537 | I530-M534 HydrophobicContact CG2-SD 4.36Å; I530-M534 WeakPolarHBondContact O-CB 3.12Å; I530-M534 WeakPolarHBondContact O-CG 3.37Å; I530-M534 PolarHBondContact O-N 2.82Å; E531-M534 PolarHBondContact O-N 3.18Å; M534-S537 PolarHBondContact O-OG 2.95Å |
| 535 | E | 59.7 | Low | 51.3 | Low | 145 Ų | 145 | 124.9 Ų | 124.9 | 68% | 0.678 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -71.2 | -26.3 | 178.1 | -74.7 | -179.6 | 171.2 | 0 | 0 | 113.4 | E531 | E531-E535 PolarHBondContact O-N 3.37Å |
| 536 | D | 54.1 | Low | 51.7 | Low | 151 Ų | 151 | 125.8 Ų | 125.8 | 81% | 0.807 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -9 | -179.7 | -79.4 | -16.8 | 0 | 0 | 0 | 114.7 | ||
| 537 | S | 53.8 | Low | 52.4 | Low | 92 Ų | 92 | 124.7 Ų | 124.7 | 64% | 0.643 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -8.3 | -172.2 | 66.2 | 0 | 0 | 0 | 0 | 115.1 | M534 | M534-S537 PolarHBondContact O-OG 2.95Š|
| 538 | T | 46.5 | Very low | 53.5 | Low | 99 Ų | 99 | 126.1 Ų | 126.1 | 61% | 0.607 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -108.8 | 89.6 | 176.4 | 56.1 | 0 | 0 | 0 | 0 | 109.8 | L540 | T538-L540 PolarHBondContact O-N 2.95Š|
| 539 | G | 40.2 | Very low | 54.5 | Low | 84 Ų | 84 | 127.3 Ų | 127.3 | 87% | 0.866 | 70% | 0.7 | S | S | * | * | trans | -67.7 | 47.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 540 | L | 39.3 | Very low | 55.4 | Low | 156 Ų | 156 | 129.4 Ų | 129.4 | 82% | 0.817 | 71% | 0.706 | S | S | * | * | trans | -133.3 | 68.8 | 168.4 | -162.8 | 66.2 | 0 | 0 | 0 | 109.7 | T538 T542 | T538-L540 PolarHBondContact O-N 2.95Å; L540-T542 PolarHBondContact O-N 3.29Å | ||
| 541 | V | 38.1 | Very low | 56.4 | Low | 121 Ų | 121 | 127.5 Ų | 127.5 | 73% | 0.733 | 70% | 0.696 | S | S | * | * | trans | -84.4 | 98.8 | 170.6 | 179.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 542 | T | 37.8 | Very low | 57.4 | Low | 121 Ų | 121 | 126.1 Ų | 126.1 | 74% | 0.742 | 70% | 0.697 | S | S | * | * | trans | -81.3 | 120.5 | 152.6 | 33 | 0 | 0 | 0 | 0 | 107.3 | L540 S544 | L540-T542 PolarHBondContact O-N 3.29Å; T542-S544 PolarHBondContact O-N 2.95Å; T542-S544 VanDerWaalsContact O-N 3.15Å | ||
| 543 | P | 42.9 | Very low | 58.3 | Low | 101 Ų | 101 | 123.9 Ų | 123.9 | 66% | 0.656 | 69% | 0.687 | S | S | * | * | trans | -64.1 | 122.9 | 179.7 | 26.2 | -32.1 | 0 | 0 | 0 | 108 | T545 | P543-T545 VanDerWaalsContact C-N 3.29Å; P543-T545 PolarHBondContact O-N 2.97Å | ||
| 544 | S | 45.2 | Very low | 59.2 | Low | 111 Ų | 111 | 124.8 Ų | 124.8 | 78% | 0.776 | 69% | 0.685 | S | S | * | * | trans | -57.2 | 96.8 | 168.2 | 58.5 | 0 | 0 | 0 | 0 | 108.4 | T542 Q546 | T542-S544 PolarHBondContact O-N 2.95Å; T542-S544 VanDerWaalsContact O-N 3.15Å; S544-Q546 PolarHBondContact O-N 3.47Å; S544-Q546 VanDerWaalsContact O-N 3.07Å | ||
| 545 | T | 47.4 | Very low | 60.1 | Low | 113 Ų | 113 | 126.3 Ų | 126.3 | 69% | 0.693 | 69% | 0.691 | S | S | * | * | trans | -64.2 | 108.5 | 169.7 | 45.8 | 0 | 0 | 0 | 0 | 106.9 | P543 L547 | P543-T545 VanDerWaalsContact C-N 3.29Å; P543-T545 PolarHBondContact O-N 2.97Å; T545-L547 PolarHBondContact O-N 3.29Å | ||
| 546 | Q | 57 | Low | 60.5 | Low | 181 Ų | 181 | 122.5 Ų | 122.5 | 85% | 0.846 | 68% | 0.678 | S | S | * | * | trans | -59.1 | 104.5 | 173.1 | -63.9 | 179.1 | -0.9 | 0 | 0 | 107.9 | S544 Y548 | S544-Q546 PolarHBondContact O-N 3.47Å; S544-Q546 VanDerWaalsContact O-N 3.07Å; Q546-Y548 PolarHBondContact O-N 3.25Å | ||
| 547 | L | 65.7 | Low | 61.1 | Low | 165 Ų | 165 | 123.3 Ų | 123.3 | 86% | 0.864 | 68% | 0.682 | S | S | * | * | trans | -67.7 | -12.3 | -174.2 | -84.9 | 148.3 | 0 | 0 | 0 | 114 | T545 | T545-L547 PolarHBondContact O-N 3.29Š| ||
| 548 | Y | 79.3 | Confident | 61.4 | Low | 185 Ų | 185 | 123 Ų | 123 | 73% | 0.725 | 67% | 0.673 | S | S | * | * | trans | -147.6 | 145.9 | -179.3 | 63.6 | -83.9 | 0 | 0 | 0 | 111.6 | Q546 I550 | Q546-Y548 PolarHBondContact O-N 3.25Å; Y548-I550 HydrophobicContact CD2-CG1 4.22Å; Y548-I550 HydrophobicContact CE2-CD1 4.44Å; Y548-I550 HydrophobicContact CE2-CG1 4.24Å | ||
| 549 | R | 78.4 | Confident | 62.1 | Low | 204 Ų | 204 | 125.5 Ų | 125.5 | 77% | 0.77 | 68% | 0.678 | S | S | * | * | trans | -117.7 | 125.8 | 170.4 | -166.8 | 178.7 | -149.3 | 160 | 7.1 | 108.1 | L551 | R549-L551 PolarHBondContact O-N 3.36Š| ||
| 550 | I | 79.1 | Confident | 63.1 | Low | 143 Ų | 143 | 127.3 Ų | 127.3 | 73% | 0.733 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 121.1 | 178.8 | -58.1 | 172.4 | 0 | 0 | 0 | 108.3 | Y548 | Y548-I550 HydrophobicContact CD2-CG1 4.22Å; Y548-I550 HydrophobicContact CE2-CD1 4.44Å; Y548-I550 HydrophobicContact CE2-CG1 4.24Å |
| 551 | L | 81.4 | Confident | 64.5 | Low | 57 Ų | 57 | 127.5 Ų | 127.5 | 30% | 0.298 | 68% | 0.676 | S | S | . | * | P | Polyproline II helix | trans | -84.9 | 133.7 | 172.9 | -68 | 173.7 | 0 | 0 | 0 | 109.8 | R549 E553 Y570 V572 V575 | R549-L551 PolarHBondContact O-N 3.36Å; L551-E553 PolarHBondContact O-N 2.87Å; L551-Y570 HydrophobicContact CB-CD1 4.14Å; L551-V572 HydrophobicContact CD1-CG1 3.94Å; L551-V575 HydrophobicContact CD2-CG2 3.61Å |
| 552 | P | 81 | Confident | 65.8 | Low | 82 Ų | 82 | 124.3 Ų | 124.3 | 53% | 0.532 | 66% | 0.662 | S | S | . | * | P | Polyproline II helix | trans | -65.5 | 133.3 | 175.9 | 25.6 | -30.6 | 0 | 0 | 0 | 110.8 | D571 | P552-D571 HydrophobicContact CG-CB 4.17Å; P552-D571 PolarHBondContact O-N 3.27Å |
| 553 | E | 81.7 | Confident | 67.1 | Low | 95 Ų | 95 | 127 Ų | 127 | 44% | 0.444 | 67% | 0.671 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.9 | 142 | 176.4 | 70.6 | 177.8 | -157.4 | 0 | 0 | 111.5 | L551 K568 L569 Y570 | L551-E553 PolarHBondContact O-N 2.87Å; E553-K568 VanDerWaalsContact CD-NZ 3.26Å; E553-K568 IonicContact OE1-NZ 2.62Å; E553-K568 PolarHBondContact OE1-NZ 2.86Å; E553-K568 WeakPolarHBondContact OE2-CD 3.4Å; E553-K568 IonicContact OE2-NZ 3.79Å; E553-K568 PolarHBondContact OE2-NZ 2.8Å; E553-L569 CarbonylContact C-O 3.57Å; E553-L569 WeakPolarHBondContact CA-O 3.11Å; E553-Y570 HydrophobicContact CB-CD1 4.17Å; E553-Y570 HydrophobicContact CB-CE1 4.02Å |
| 554 | T | 76.6 | Confident | 68.4 | Low | 85 Ų | 85 | 131.1 Ų | 131.1 | 52% | 0.521 | 68% | 0.684 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.9 | 127.1 | 171.4 | 7 | 0 | 0 | 0 | 0 | 108.7 | L569 | T554-L569 PolarHBondContact N-O 3.36Å; T554-L569 PolarHBondContact O-N 3.09Å; T554-L569 PolarHBondContact OG1-O 3Å |
| 555 | E | 76.3 | Confident | 69.5 | Low | 161 Ų | 161 | 127.6 Ų | 127.6 | 75% | 0.752 | 67% | 0.665 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -79.1 | 136.3 | 176.9 | -66.3 | -172 | 157.5 | 0 | 0 | 110.8 | ||
| 556 | T | 68.9 | Low | 70.6 | Confident | 66 Ų | 66 | 126.4 Ų | 126.4 | 41% | 0.405 | 66% | 0.661 | S | S | . | * | trans | -123.6 | 132.6 | 171.2 | 55.9 | 0 | 0 | 0 | 0 | 111.2 | L558 T567 L569 | T556-L558 PolarHBondContact O-N 3.05Å; T556-T567 PolarHBondContact N-O 2.96Å; T556-L569 HydrophobicContact CG2-CD1 3.38Å | ||
| 557 | N | 66.9 | Low | 71.5 | Confident | 168 Ų | 168 | 121.6 Ų | 121.6 | 90% | 0.898 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 121.1 | 173.2 | -98.8 | -60.2 | 0 | 0 | 0 | 110.3 | Q559 | N557-Q559 PolarHBondContact O-N 3.49Š|
| 558 | L | 59.7 | Low | 72.1 | Confident | 86 Ų | 86 | 117.4 Ų | 117.4 | 45% | 0.45 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -53.8 | 122.6 | 174 | -85.3 | 148.2 | 0 | 0 | 0 | 110.7 | T556 G565 T567 | T556-L558 PolarHBondContact O-N 3.05Å; L558-G565 WeakPolarHBondContact CD2-O 3.35Å; L558-T567 HydrophobicContact CD1-CG2 3.65Å; L558-T567 HydrophobicContact CG-CG2 4.49Å |
| 559 | Q | 62.5 | Low | 71.9 | Confident | 151 Ų | 151 | 113.1 Ų | 113.1 | 71% | 0.706 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 131.6 | 163.5 | -76.4 | -79.5 | -18.2 | 0 | 0 | 108.5 | N557 N561 A562 | N557-Q559 PolarHBondContact O-N 3.49Å; Q559-N561 PolarHBondContact O-N 3.12Å; Q559-A562 PolarHBondContact O-N 3.17Å; Q559-A562 VanDerWaalsContact O-N 3.15Å |
| 560 | P | 60.2 | Low | 71.9 | Confident | 122 Ų | 122 | 109.5 Ų | 109.5 | 79% | 0.792 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -9.7 | -171.5 | 21.7 | -32.3 | 0 | 0 | 0 | 115.2 | ||
| 561 | N | 68.8 | Low | 71.8 | Confident | 160 Ų | 160 | 106.2 Ų | 106.2 | 86% | 0.856 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | -0.4 | -178.8 | -74.7 | 6.8 | 0 | 0 | 0 | 114.8 | Q559 | Q559-N561 PolarHBondContact O-N 3.12Š|
| 562 | A | 65.8 | Low | 71.6 | Confident | 54 Ų | 54 | 107 Ų | 107 | 45% | 0.446 | 59% | 0.587 | S | S | . | * | trans | -93 | 108.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q559 M564 | Q559-A562 PolarHBondContact O-N 3.17Å; Q559-A562 VanDerWaalsContact O-N 3.15Å; A562-M564 PolarHBondContact O-N 2.97Å | ||
| 563 | L | 64.6 | Low | 71.2 | Confident | 177 Ų | 177 | 105 Ų | 105 | 93% | 0.927 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -18.9 | -175.1 | -156 | 80.9 | 0 | 0 | 0 | 113.9 | ||
| 564 | M | 69.7 | Low | 70.6 | Confident | 188 Ų | 188 | 103.8 Ų | 103.8 | 93% | 0.926 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.6 | 45.8 | -174.3 | -81.3 | 177.9 | 85.5 | 0 | 0 | 113.7 | A562 | A562-M564 PolarHBondContact O-N 2.97Š|
| 565 | G | 68.4 | Low | 70 | Confident | 37 Ų | 37 | 104 Ų | 104 | 38% | 0.381 | 59% | 0.591 | S | S | . | * | trans | -76 | 133.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.5 | L558 | L558-G565 WeakPolarHBondContact CD2-O 3.35Š| ||
| 566 | S | 70.9 | Confident | 69.5 | Low | 87 Ų | 87 | 100.8 Ų | 100.8 | 61% | 0.608 | 58% | 0.582 | S | S | * | * | trans | -65.3 | 136.8 | 164.6 | 172 | 0 | 0 | 0 | 0 | 109.4 | K568 | S566-K568 PolarHBondContact O-N 3.33Å; S566-K568 PolarHBondContact OG-N 2.83Å; S566-K568 PolarHBondContact OG-O 3.47Å | ||
| 567 | T | 75.7 | Confident | 69 | Low | 81 Ų | 81 | 101 Ų | 101 | 50% | 0.497 | 60% | 0.597 | S | S | . | * | S | Bend | trans | -72.6 | -14.4 | 174.1 | 43.7 | 0 | 0 | 0 | 0 | 113.3 | T556 L558 | T556-T567 PolarHBondContact N-O 2.96Å; L558-T567 HydrophobicContact CD1-CG2 3.65Å; L558-T567 HydrophobicContact CG-CG2 4.49Å |
| 568 | K | 78 | Confident | 68.2 | Low | 77 Ų | 77 | 96.2 Ų | 96.2 | 34% | 0.335 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.3 | 130.8 | -174.2 | -60.4 | -171 | 168 | -150.4 | 0 | 111.7 | E553 S566 | E553-K568 VanDerWaalsContact CD-NZ 3.26Å; E553-K568 IonicContact OE1-NZ 2.62Å; E553-K568 PolarHBondContact OE1-NZ 2.86Å; E553-K568 WeakPolarHBondContact OE2-CD 3.4Å; E553-K568 IonicContact OE2-NZ 3.79Å; E553-K568 PolarHBondContact OE2-NZ 2.8Å; S566-K568 PolarHBondContact O-N 3.33Å; S566-K568 PolarHBondContact OG-N 2.83Å; S566-K568 PolarHBondContact OG-O 3.47Å |
| 569 | L | 76.6 | Confident | 67.5 | Low | 95 Ų | 95 | 101.2 Ų | 101.2 | 50% | 0.497 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.4 | 137.9 | 169.7 | -94.9 | 146 | 0 | 0 | 0 | 109.4 | E553 T554 T556 | E553-L569 CarbonylContact C-O 3.57Å; E553-L569 WeakPolarHBondContact CA-O 3.11Å; T554-L569 PolarHBondContact N-O 3.36Å; T554-L569 PolarHBondContact O-N 3.09Å; T554-L569 PolarHBondContact OG1-O 3Å; T556-L569 HydrophobicContact CG2-CD1 3.38Å |
| 570 | Y | 76.4 | Confident | 66.5 | Low | 128 Ų | 128 | 104.1 Ų | 104.1 | 50% | 0.502 | 61% | 0.607 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107 | 133.3 | 176.4 | -62.9 | -81.3 | 0 | 0 | 0 | 110.1 | L551 E553 V572 | L551-Y570 HydrophobicContact CB-CD1 4.14Å; E553-Y570 HydrophobicContact CB-CD1 4.17Å; E553-Y570 HydrophobicContact CB-CE1 4.02Å; Y570-V572 PolarHBondContact O-N 2.78Å |
| 571 | D | 77.7 | Confident | 65.5 | Low | 73 Ų | 73 | 106.3 Ų | 106.3 | 39% | 0.39 | 61% | 0.606 | S | S | . | * | trans | -80 | 104.2 | 176.1 | -170.6 | 4.6 | 0 | 0 | 0 | 110.7 | P552 A573 | P552-D571 HydrophobicContact CG-CB 4.17Å; P552-D571 PolarHBondContact O-N 3.27Å; D571-A573 VanDerWaalsContact OD1-CB 3.31Å; D571-A573 WeakPolarHBondContact OD1-CB 3.41Å; D571-A573 PolarHBondContact OD1-N 3.25Å; D571-A573 VanDerWaalsContact OD1-N 3.15Å | ||
| 572 | V | 77.4 | Confident | 64 | Low | 75 Ų | 75 | 106.9 Ų | 106.9 | 46% | 0.455 | 61% | 0.608 | S | S | . | * | trans | -90.9 | 0.8 | 179.2 | -74.5 | 0 | 0 | 0 | 0 | 113.9 | L551 Y570 G574 V575 T576 | L551-V572 HydrophobicContact CD1-CG1 3.94Å; Y570-V572 PolarHBondContact O-N 2.78Å; V572-G574 PolarHBondContact O-N 3.17Å; V572-G574 VanDerWaalsContact O-N 3.16Å; V572-V575 PolarHBondContact O-N 3.24Å; V572-T576 PolarHBondContact O-N 3Å; V572-T576 PolarHBondContact O-OG1 3.18Å | ||
| 573 | A | 72 | Confident | 62.5 | Low | 40 Ų | 40 | 111.1 Ų | 111.1 | 33% | 0.331 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -59.9 | -31.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D571 V575 | D571-A573 VanDerWaalsContact OD1-CB 3.31Å; D571-A573 WeakPolarHBondContact OD1-CB 3.41Å; D571-A573 PolarHBondContact OD1-N 3.25Å; D571-A573 VanDerWaalsContact OD1-N 3.15Å; A573-V575 VanDerWaalsContact C-N 3.33Å; A573-V575 PolarHBondContact O-N 2.8Å |
| 574 | G | 68.8 | Low | 61.2 | Low | 68 Ų | 68 | 112.7 Ų | 112.7 | 70% | 0.701 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -76 | -14.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | V572 | V572-G574 PolarHBondContact O-N 3.17Å; V572-G574 VanDerWaalsContact O-N 3.16Å |
| 575 | V | 65.5 | Low | 59.4 | Low | 91 Ų | 91 | 106.9 Ų | 106.9 | 55% | 0.552 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -96.8 | -28.1 | -179.4 | 177.2 | 0 | 0 | 0 | 0 | 111.9 | L551 V572 A573 | L551-V575 HydrophobicContact CD2-CG2 3.61Å; V572-V575 PolarHBondContact O-N 3.24Å; A573-V575 VanDerWaalsContact C-N 3.33Å; A573-V575 PolarHBondContact O-N 2.8Å |
| 576 | T | 65.1 | Low | 57.7 | Low | 92 Ų | 92 | 115.1 Ų | 115.1 | 56% | 0.564 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -96.8 | -6.7 | -174.4 | 57.1 | 0 | 0 | 0 | 0 | 114.9 | V572 A578 | V572-T576 PolarHBondContact O-N 3Å; V572-T576 PolarHBondContact O-OG1 3.18Å; T576-A578 PolarHBondContact O-N 3.4Å |
| 577 | G | 57.7 | Low | 55.9 | Low | 71 Ų | 71 | 120.7 Ų | 120.7 | 73% | 0.732 | 65% | 0.653 | S | S | * | * | trans | 65.2 | 8.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115 | Q579 | G577-Q579 PolarHBondContact O-N 2.93Š| ||
| 578 | A | 50.6 | Low | 54 | Low | 67 Ų | 67 | 122 Ų | 122 | 55% | 0.554 | 67% | 0.665 | S | S | * | * | trans | -79.5 | 113.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | T576 R580 | T576-A578 PolarHBondContact O-N 3.4Å; A578-R580 PolarHBondContact O-N 3.14Å | ||
| 579 | Q | 45.5 | Very low | 51.9 | Low | 191 Ų | 191 | 124 Ų | 124 | 89% | 0.893 | 68% | 0.684 | S | S | * | * | trans | -61.6 | 122.1 | 169.8 | -71.4 | -170.9 | -74.5 | 0 | 0 | 109.9 | G577 E581 | G577-Q579 PolarHBondContact O-N 2.93Å; Q579-E581 PolarHBondContact O-N 2.98Å | ||
| 580 | R | 40.2 | Very low | 50.1 | Low | 213 Ų | 213 | 125.6 Ų | 125.6 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | trans | -67.9 | 98.4 | 167.2 | -93 | 179.9 | 165.2 | 148.8 | -1.7 | 108.7 | A578 L582 | A578-R580 PolarHBondContact O-N 3.14Å; R580-L582 PolarHBondContact O-N 3.36Å | ||
| 581 | E | 39.4 | Very low | 47.9 | Very low | 167 Ų | 167 | 129.6 Ų | 129.6 | 78% | 0.78 | 72% | 0.715 | S | S | * | * | trans | -71.5 | 119.4 | 158.3 | -76.6 | -153.5 | 154.1 | 0 | 0 | 109.6 | Q579 N583 | Q579-E581 PolarHBondContact O-N 2.98Å; E581-N583 PolarHBondContact O-N 3.3Å | ||
| 582 | L | 38.7 | Very low | 45.7 | Very low | 172 Ų | 172 | 136.6 Ų | 136.6 | 90% | 0.901 | 74% | 0.738 | S | S | * | * | trans | -66.9 | 90 | 170 | -84.2 | 140.7 | 0 | 0 | 0 | 109.5 | R580 | R580-L582 PolarHBondContact O-N 3.36Š| ||
| 583 | N | 34.4 | Very low | 43.5 | Very low | 143 Ų | 143 | 141.3 Ų | 141.3 | 77% | 0.765 | 75% | 0.753 | S | S | * | * | trans | -113.2 | 111.5 | 162.1 | -103.7 | -39.5 | 0 | 0 | 0 | 110.6 | E581 G585 | E581-N583 PolarHBondContact O-N 3.3Å; N583-G585 PolarHBondContact O-N 3.09Å | ||
| 584 | K | 37.2 | Very low | 41.6 | Very low | 211 Ų | 211 | 148 Ų | 148 | 92% | 0.917 | 78% | 0.777 | S | S | * | * | trans | -65.3 | 121.3 | 172.5 | -75.7 | 172.8 | 174.2 | 171.4 | 0 | 109 | ||||
| 585 | G | 31.3 | Very low | 40.2 | Very low | 66 Ų | 66 | 150.8 Ų | 150.8 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 105.9 | 130.8 | 160.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | N583 | N583-G585 PolarHBondContact O-N 3.09Š|
| 586 | K | 32.4 | Very low | 39 | Very low | 209 Ų | 209 | 152.4 Ų | 152.4 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | trans | 83 | 88.3 | 174.6 | -52.9 | 177.1 | -177.7 | 175.6 | 0 | 114.1 | S588 | K586-S588 PolarHBondContact O-N 2.94Å; K586-S588 VanDerWaalsContact O-N 3.11Å | ||
| 587 | H | 34.1 | Very low | 37.9 | Very low | 205 Ų | 205 | 156.2 Ų | 156.2 | 95% | 0.949 | 78% | 0.783 | S | S | * | * | trans | -67.4 | 104.5 | 158.8 | -79 | -49.2 | 0 | 0 | 0 | 109.2 | ||||
| 588 | S | 35.7 | Very low | 37.3 | Very low | 109 Ų | 109 | 156.8 Ų | 156.8 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -73 | 127.1 | 160.9 | 51.8 | 0 | 0 | 0 | 0 | 109.4 | K586 | K586-S588 PolarHBondContact O-N 2.94Å; K586-S588 VanDerWaalsContact O-N 3.11Å |
| 589 | T | 34.1 | Very low | 37.2 | Very low | 119 Ų | 119 | 161.4 Ų | 161.4 | 73% | 0.73 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 136 | 172.7 | 46.1 | 0 | 0 | 0 | 0 | 111.7 | ||
| 590 | P | 38 | Very low | 37.2 | Very low | 127 Ų | 127 | 157.7 Ų | 157.7 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 129 | 160.8 | 5.8 | 9.8 | 0 | 0 | 0 | 108.7 | Y592 | P590-Y592 PolarHBondContact O-N 3.13Š|
| 591 | Y | 30.8 | Very low | 37.5 | Very low | 212 Ų | 212 | 150.8 Ų | 150.8 | 83% | 0.831 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 116.8 | 172.6 | -101.5 | -111 | 0 | 0 | 0 | 111.2 | ||
| 592 | Y | 31.7 | Very low | 37.9 | Very low | 221 Ų | 221 | 152.3 Ų | 152.3 | 87% | 0.867 | 75% | 0.752 | S | S | * | * | trans | -119.8 | 132.6 | 146.3 | -114.7 | -90.5 | 0 | 0 | 0 | 106.7 | P590 E594 | P590-Y592 PolarHBondContact O-N 3.13Å; Y592-E594 VanDerWaalsContact C-N 3.32Å; Y592-E594 PolarHBondContact O-N 3.05Å | ||
| 593 | F | 29.9 | Very low | 38.6 | Very low | 173 Ų | 173 | 151.8 Ų | 151.8 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | trans | -63.4 | 92.2 | 175.8 | -126.7 | -96.5 | 0 | 0 | 0 | 108.2 | E595 | F593-E595 HydrophobicContact CD1-CG 4.1Å; F593-E595 HydrophobicContact CE1-CG 4.19Å | ||
| 594 | E | 33.4 | Very low | 39.2 | Very low | 181 Ų | 181 | 147.9 Ų | 147.9 | 85% | 0.846 | 73% | 0.725 | S | S | * | * | trans | -105.2 | 84 | 170.7 | -156.6 | 162.9 | -158.4 | 0 | 0 | 106.7 | Y592 D596 | Y592-E594 VanDerWaalsContact C-N 3.32Å; Y592-E594 PolarHBondContact O-N 3.05Å; E594-D596 PolarHBondContact O-N 3.23Å | ||
| 595 | E | 37.7 | Very low | 40.1 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 59% | 0.589 | 71% | 0.705 | S | S | * | * | trans | -67.4 | 126.3 | 169 | -85.9 | -176.5 | 163.3 | 0 | 0 | 109.3 | F593 Y597 | F593-E595 HydrophobicContact CD1-CG 4.1Å; F593-E595 HydrophobicContact CE1-CG 4.19Å; E595-Y597 VanDerWaalsContact C-N 3.3Å; E595-Y597 HydrophobicContact CB-CD2 4.44Å; E595-Y597 HydrophobicContact CB-CE2 4.39Å; E595-Y597 WeakPolarHBondContact O-CD2 3.41Å; E595-Y597 PolarHBondContact O-N 2.93Å | ||
| 596 | D | 40.2 | Very low | 41.3 | Very low | 125 Ų | 125 | 146.4 Ų | 146.4 | 67% | 0.668 | 71% | 0.707 | S | S | * | * | trans | -57.9 | 74.9 | -178.6 | -83.4 | -43.2 | 0 | 0 | 0 | 113.9 | E594 S598 | E594-D596 PolarHBondContact O-N 3.23Å; D596-S598 PolarHBondContact O-N 2.69Å | ||
| 597 | Y | 43.3 | Very low | 42.3 | Very low | 173 Ų | 173 | 142.1 Ų | 142.1 | 68% | 0.678 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -74 | -7 | 172 | -88.5 | -85.2 | 0 | 0 | 0 | 113.7 | E595 S601 | E595-Y597 VanDerWaalsContact C-N 3.3Å; E595-Y597 HydrophobicContact CB-CD2 4.44Å; E595-Y597 HydrophobicContact CB-CE2 4.39Å; E595-Y597 WeakPolarHBondContact O-CD2 3.41Å; E595-Y597 PolarHBondContact O-N 2.93Å; Y597-S601 WeakPolarHBondContact O-CB 3.44Å; Y597-S601 PolarHBondContact O-N 3.11Å |
| 598 | S | 45.1 | Very low | 43.2 | Very low | 82 Ų | 82 | 137 Ų | 137 | 57% | 0.573 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -83.8 | -21.1 | -174 | 75.8 | 0 | 0 | 0 | 0 | 115.1 | D596 | D596-S598 PolarHBondContact O-N 2.69Å |
| 599 | K | 47.1 | Very low | 44.3 | Very low | 165 Ų | 165 | 135 Ų | 135 | 72% | 0.717 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -95.6 | -25.5 | 175.6 | -75.6 | 176.7 | -176.1 | 165.4 | 0 | 113.5 | ||
| 600 | L | 45.7 | Very low | 45.4 | Very low | 112 Ų | 112 | 130.9 Ų | 130.9 | 59% | 0.586 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -75.9 | -31.9 | 173.3 | -141 | 73.8 | 0 | 0 | 0 | 112 | R602 K603 C604 | L600-R602 VanDerWaalsContact C-N 3.31Å; L600-R602 PolarHBondContact O-N 3.4Å; L600-K603 PolarHBondContact O-N 3.02Å; L600-C604 WeakPolarHBondContact O-CB 3.46Å; L600-C604 PolarHBondContact O-N 3.33Å |
| 601 | S | 46.4 | Very low | 46 | Very low | 68 Ų | 68 | 129.7 Ų | 129.7 | 48% | 0.476 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -57 | -36.6 | 176.5 | 170.2 | 0 | 0 | 0 | 0 | 113.7 | Y597 T605 | Y597-S601 WeakPolarHBondContact O-CB 3.44Å; Y597-S601 PolarHBondContact O-N 3.11Å; S601-T605 WeakPolarHBondContact O-CB 3.05Å; S601-T605 WeakPolarHBondContact O-CG2 3.06Å; S601-T605 PolarHBondContact O-N 3.34Å; S601-T605 PolarHBondContact O-OG1 3.38Å |
| 602 | R | 48.9 | Very low | 46.9 | Very low | 200 Ų | 200 | 124.8 Ų | 124.8 | 76% | 0.755 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -81.9 | -23.4 | -179.8 | -63.4 | -173.3 | -166.9 | -179.5 | 4.6 | 114.4 | L600 T605 | L600-R602 VanDerWaalsContact C-N 3.31Å; L600-R602 PolarHBondContact O-N 3.4Å; R602-T605 WeakPolarHBondContact CA-OG1 3.47Å; R602-T605 PolarHBondContact O-OG1 3.17Å |
| 603 | K | 52.4 | Low | 47.9 | Very low | 160 Ų | 160 | 124.8 Ų | 124.8 | 70% | 0.696 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -86.2 | -39.2 | 174 | -100.9 | 176.3 | 176.6 | 177.4 | 0 | 111.5 | L600 K606 L607 | L600-K603 PolarHBondContact O-N 3.02Å; K603-K606 PolarHBondContact O-N 3.16Å; K603-L607 WeakPolarHBondContact O-CB 3.35Å; K603-L607 PolarHBondContact O-N 3.45Å |
| 604 | C | 47.9 | Very low | 49 | Very low | 61 Ų | 61 | 124.3 Ų | 124.3 | 41% | 0.412 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.8 | -38.8 | 172.4 | -87.8 | 0 | 0 | 0 | 0 | 112.2 | L600 K606 L607 L608 | L600-C604 WeakPolarHBondContact O-CB 3.46Å; L600-C604 PolarHBondContact O-N 3.33Å; C604-K606 PolarHBondContact O-N 3.41Å; C604-L607 PolarHBondContact O-N 3.18Å; C604-L608 HydrophobicContact CB-CD1 4.31Å; C604-L608 WeakPolarHBondContact O-CB 3.14Å; C604-L608 WeakPolarHBondContact O-CD1 3.44Å; C604-L608 WeakPolarHBondContact O-CG 3.5Å; C604-L608 PolarHBondContact O-N 2.97Å |
| 605 | T | 56.8 | Low | 49.7 | Very low | 82 Ų | 82 | 118.9 Ų | 118.9 | 50% | 0.503 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.3 | -32.6 | 176.7 | 45.9 | 0 | 0 | 0 | 0 | 113.2 | S601 R602 S609 | S601-T605 WeakPolarHBondContact O-CB 3.05Å; S601-T605 WeakPolarHBondContact O-CG2 3.06Å; S601-T605 PolarHBondContact O-N 3.34Å; S601-T605 PolarHBondContact O-OG1 3.38Å; R602-T605 WeakPolarHBondContact CA-OG1 3.47Å; R602-T605 PolarHBondContact O-OG1 3.17Å; T605-S609 WeakPolarHBondContact O-CB 3.44Å; T605-S609 PolarHBondContact O-N 2.87Å; T605-S609 PolarHBondContact O-OG 3.41Å; T605-S609 VanDerWaalsContact O-OG 3.12Å |
| 606 | K | 54.8 | Low | 50.1 | Low | 164 Ų | 164 | 117 Ų | 117 | 71% | 0.713 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -74 | -40.3 | 173.1 | -82.6 | -177 | 177.6 | -180 | 0 | 112.7 | K603 C604 S609 G610 | K603-K606 PolarHBondContact O-N 3.16Å; C604-K606 PolarHBondContact O-N 3.41Å; K606-S609 PolarHBondContact O-OG 2.82Å; K606-G610 PolarHBondContact O-N 3.43Å; K606-G610 VanDerWaalsContact O-N 3.08Å |
| 607 | L | 54.4 | Low | 50.4 | Low | 119 Ų | 119 | 115.3 Ų | 115.3 | 62% | 0.623 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -72.1 | -38.4 | 177 | -74.5 | 168.3 | 0 | 0 | 0 | 112.6 | K603 C604 G610 L611 | K603-L607 WeakPolarHBondContact O-CB 3.35Å; K603-L607 PolarHBondContact O-N 3.45Å; C604-L607 PolarHBondContact O-N 3.18Å; L607-G610 PolarHBondContact O-N 3.39Å; L607-L611 WeakPolarHBondContact O-CD1 3.46Å; L607-L611 PolarHBondContact O-N 3.42Å |
| 608 | L | 53.7 | Low | 50.4 | Low | 99 Ų | 99 | 112.6 Ų | 112.6 | 52% | 0.518 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68 | -38 | 172.1 | -80.5 | 154 | 0 | 0 | 0 | 111.5 | C604 G610 L611 L612 | C604-L608 HydrophobicContact CB-CD1 4.31Å; C604-L608 WeakPolarHBondContact O-CB 3.14Å; C604-L608 WeakPolarHBondContact O-CD1 3.44Å; C604-L608 WeakPolarHBondContact O-CG 3.5Å; C604-L608 PolarHBondContact O-N 2.97Å; L608-G610 PolarHBondContact O-N 3.49Å; L608-L611 PolarHBondContact O-N 2.86Å; L608-L612 HydrophobicContact CB-CD1 4.19Å; L608-L612 HydrophobicContact CD2-CD1 3.92Å; L608-L612 VanDerWaalsContact O-CB 3.31Å; L608-L612 WeakPolarHBondContact O-CB 3.45Å; L608-L612 WeakPolarHBondContact O-CD1 3.35Å; L608-L612 PolarHBondContact O-N 3.42Å |
| 609 | S | 58.6 | Low | 50.6 | Low | 66 Ų | 66 | 112.7 Ų | 112.7 | 46% | 0.462 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.2 | -23.8 | 173.3 | 73.7 | 0 | 0 | 0 | 0 | 113.5 | T605 K606 | T605-S609 WeakPolarHBondContact O-CB 3.44Å; T605-S609 PolarHBondContact O-N 2.87Å; T605-S609 PolarHBondContact O-OG 3.41Å; T605-S609 VanDerWaalsContact O-OG 3.12Å; K606-S609 PolarHBondContact O-OG 2.82Å |
| 610 | G | 55.9 | Low | 50.3 | Low | 33 Ų | 33 | 112 Ų | 112 | 34% | 0.34 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -84.4 | -36.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | K606 L607 L608 | K606-G610 PolarHBondContact O-N 3.43Å; K606-G610 VanDerWaalsContact O-N 3.08Å; L607-G610 PolarHBondContact O-N 3.39Å; L608-G610 PolarHBondContact O-N 3.49Å |
| 611 | L | 51.8 | Low | 50.3 | Low | 102 Ų | 102 | 112.8 Ų | 112.8 | 53% | 0.534 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -76.3 | -41 | 174.1 | -98.3 | 80.9 | 0 | 0 | 0 | 112 | L607 L608 R613 K614 D615 | L607-L611 WeakPolarHBondContact O-CD1 3.46Å; L607-L611 PolarHBondContact O-N 3.42Å; L608-L611 PolarHBondContact O-N 2.86Å; L611-R613 PolarHBondContact O-N 3.25Å; L611-R613 VanDerWaalsContact O-N 3.14Å; L611-K614 PolarHBondContact O-N 3.42Å; L611-D615 PolarHBondContact O-N 2.89Å |
| 612 | L | 49.7 | Very low | 50.4 | Low | 109 Ų | 109 | 114.3 Ų | 114.3 | 57% | 0.571 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.5 | -19.2 | 175.5 | -88.3 | 93.5 | 0 | 0 | 0 | 113.4 | L608 C616 | L608-L612 HydrophobicContact CB-CD1 4.19Å; L608-L612 HydrophobicContact CD2-CD1 3.92Å; L608-L612 VanDerWaalsContact O-CB 3.31Å; L608-L612 WeakPolarHBondContact O-CB 3.45Å; L608-L612 WeakPolarHBondContact O-CD1 3.35Å; L608-L612 PolarHBondContact O-N 3.42Å; L612-C616 PolarHBondContact O-SG 3.22Å |
| 613 | R | 53.1 | Low | 50.1 | Low | 221 Ų | 221 | 114.2 Ų | 114.2 | 83% | 0.834 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -84.4 | -19 | 172.1 | -83.4 | -174.6 | -162.8 | -146.7 | 0.8 | 114.3 | L611 | L611-R613 PolarHBondContact O-N 3.25Å; L611-R613 VanDerWaalsContact O-N 3.14Å |
| 614 | K | 51.3 | Low | 49.7 | Very low | 163 Ų | 163 | 113.1 Ų | 113.1 | 71% | 0.709 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -102.3 | -23 | -179.6 | -71.4 | -176.7 | 177.1 | -177.6 | 0 | 112.8 | L611 S617 | L611-K614 PolarHBondContact O-N 3.42Å; K614-S617 PolarHBondContact O-OG 2.81Å |
| 615 | D | 49.2 | Very low | 49.5 | Very low | 67 Ų | 67 | 114.1 Ų | 114.1 | 36% | 0.358 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -92.6 | -15.5 | 178.9 | -62.3 | -26.7 | 0 | 0 | 0 | 113.4 | L611 S617 L618 I619 | L611-D615 PolarHBondContact O-N 2.89Å; D615-S617 PolarHBondContact O-N 3.47Å; D615-L618 PolarHBondContact O-N 3.42Å; D615-I619 HydrophobicContact CB-CD1 3.95Å; D615-I619 WeakPolarHBondContact O-CB 3.27Å; D615-I619 WeakPolarHBondContact O-CD1 3.35Å; D615-I619 WeakPolarHBondContact O-CG1 3.43Å; D615-I619 PolarHBondContact O-N 2.98Å |
| 616 | C | 45.4 | Very low | 49.1 | Very low | 86 Ų | 86 | 115.9 Ų | 115.9 | 58% | 0.581 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -64.8 | -20.4 | 173.8 | -87.2 | 0 | 0 | 0 | 0 | 114.2 | L612 | L612-C616 PolarHBondContact O-SG 3.22Å |
| 617 | S | 46.2 | Very low | 49.3 | Very low | 89 Ų | 89 | 113.4 Ų | 113.4 | 62% | 0.622 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -85.7 | -15.2 | 172 | 54.2 | 0 | 0 | 0 | 0 | 113.7 | K614 D615 | K614-S617 PolarHBondContact O-OG 2.81Å; D615-S617 PolarHBondContact O-N 3.47Å |
| 618 | L | 45.2 | Very low | 49.5 | Very low | 116 Ų | 116 | 112.3 Ų | 112.3 | 61% | 0.607 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -100.3 | -29.9 | 178.8 | -139.2 | 74 | 0 | 0 | 0 | 111.9 | D615 H620 N621 | D615-L618 PolarHBondContact O-N 3.42Å; L618-H620 VanDerWaalsContact C-N 3.31Å; L618-H620 PolarHBondContact O-N 2.97Å; L618-N621 PolarHBondContact O-N 3.07Å |
| 619 | I | 48.3 | Very low | 49.7 | Very low | 85 Ų | 85 | 117.2 Ų | 117.2 | 44% | 0.436 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -70.2 | -26.2 | 178.2 | -70 | 168.4 | 0 | 0 | 0 | 111.8 | D615 N621 V622 Y623 | D615-I619 HydrophobicContact CB-CD1 3.95Å; D615-I619 WeakPolarHBondContact O-CB 3.27Å; D615-I619 WeakPolarHBondContact O-CD1 3.35Å; D615-I619 WeakPolarHBondContact O-CG1 3.43Å; D615-I619 PolarHBondContact O-N 2.98Å; I619-N621 PolarHBondContact O-N 3.45Å; I619-V622 PolarHBondContact O-N 3.43Å; I619-Y623 HydrophobicContact CG2-CD2 3.59Å; I619-Y623 HydrophobicContact CG2-CE2 3.59Å; I619-Y623 WeakPolarHBondContact O-CD2 3.4Å; I619-Y623 PolarHBondContact O-N 2.93Å |
| 620 | H | 41.2 | Very low | 49.9 | Very low | 149 Ų | 149 | 119.3 Ų | 119.3 | 69% | 0.69 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -72.9 | -13.9 | 175.8 | -143.4 | -84.2 | 0 | 0 | 0 | 114 | L618 | L618-H620 VanDerWaalsContact C-N 3.31Å; L618-H620 PolarHBondContact O-N 2.97Å |
| 621 | N | 45.7 | Very low | 50 | Low | 130 Ų | 130 | 124.8 Ų | 124.8 | 70% | 0.695 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -102.5 | -10.6 | 177.5 | -74.6 | -16.8 | 0 | 0 | 0 | 113.5 | L618 I619 | L618-N621 PolarHBondContact O-N 3.07Å; I619-N621 PolarHBondContact O-N 3.45Å |
| 622 | V | 48.1 | Very low | 50.2 | Low | 100 Ų | 100 | 125.1 Ų | 125.1 | 61% | 0.606 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -99.1 | -21.7 | 179.9 | 178.4 | 0 | 0 | 0 | 0 | 112.2 | I619 N624 A625 | I619-V622 PolarHBondContact O-N 3.43Å; V622-N624 VanDerWaalsContact C-N 3.31Å; V622-N624 PolarHBondContact O-N 2.81Å; V622-A625 PolarHBondContact O-N 3.28Å |
| 623 | Y | 42.1 | Very low | 50.7 | Low | 197 Ų | 197 | 125 Ų | 125 | 77% | 0.773 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | 5.6 | -179.5 | -88.8 | -91.5 | 0 | 0 | 0 | 115.7 | I619 | I619-Y623 HydrophobicContact CG2-CD2 3.59Å; I619-Y623 HydrophobicContact CG2-CE2 3.59Å; I619-Y623 WeakPolarHBondContact O-CD2 3.4Å; I619-Y623 PolarHBondContact O-N 2.93Å |
| 624 | N | 44.7 | Very low | 51 | Low | 137 Ų | 137 | 122.3 Ų | 122.3 | 73% | 0.733 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | 14.2 | 170 | -76.5 | -40.1 | 0 | 0 | 0 | 112.9 | V622 E626 | V622-N624 VanDerWaalsContact C-N 3.31Å; V622-N624 PolarHBondContact O-N 2.81Å; N624-E626 PolarHBondContact O-N 2.95Å |
| 625 | A | 43.5 | Very low | 51.4 | Low | 82 Ų | 82 | 121.3 Ų | 121.3 | 68% | 0.678 | 61% | 0.606 | S | S | * | * | trans | -80.9 | 97.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | V622 | V622-A625 PolarHBondContact O-N 3.28Š| ||
| 626 | E | 47.6 | Very low | 51.6 | Low | 120 Ų | 120 | 126.7 Ų | 126.7 | 56% | 0.561 | 62% | 0.621 | S | S | * | * | trans | -48.4 | 138.6 | 167.1 | -69.4 | 178.4 | 149.6 | 0 | 0 | 111.1 | N624 | N624-E626 PolarHBondContact O-N 2.95Š| ||
| 627 | D | 59.4 | Low | 52.1 | Low | 112 Ų | 112 | 128.2 Ų | 128.2 | 60% | 0.599 | 62% | 0.622 | S | S | * | * | trans | -55 | 125.9 | 176.2 | -133 | -18.2 | 0 | 0 | 0 | 109.5 | R629 E630 R631 | D627-R629 PolarHBondContact O-N 2.87Å; D627-E630 HydrophobicContact CB-CB 4.48Å; D627-E630 HydrophobicContact CB-CG 4.45Å; D627-E630 PolarHBondContact O-N 2.69Å; D627-R631 PolarHBondContact O-N 3.25Å | ||
| 628 | P | 59.8 | Low | 52.2 | Low | 95 Ų | 95 | 127.9 Ų | 127.9 | 62% | 0.617 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -56 | -23.6 | -175.4 | -26 | 32.6 | 0 | 0 | 0 | 114.1 | M632 | P628-M632 PolarHBondContact O-N 3.35Å |
| 629 | R | 56.6 | Low | 52.3 | Low | 202 Ų | 202 | 125.1 Ų | 125.1 | 76% | 0.762 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -75.2 | -40.6 | 175.2 | -74.7 | -172.2 | 175.5 | -162.4 | -0.3 | 113 | D627 M632 L633 | D627-R629 PolarHBondContact O-N 2.87Å; R629-M632 PolarHBondContact O-N 3.29Å; R629-L633 PolarHBondContact O-N 3.19Å; R629-L633 VanDerWaalsContact O-N 3.17Å |
| 630 | E | 62.6 | Low | 52.2 | Low | 110 Ų | 110 | 126.8 Ų | 126.8 | 51% | 0.514 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -69.3 | -35.1 | 177.3 | -76.5 | -161.5 | 150.9 | 0 | 0 | 112 | D627 M632 L633 R634 | D627-E630 HydrophobicContact CB-CB 4.48Å; D627-E630 HydrophobicContact CB-CG 4.45Å; D627-E630 PolarHBondContact O-N 2.69Å; E630-M632 VanDerWaalsContact C-N 3.33Å; E630-M632 PolarHBondContact O-N 2.92Å; E630-L633 PolarHBondContact O-N 3.35Å; E630-R634 WeakPolarHBondContact O-CG 3.47Å; E630-R634 PolarHBondContact O-N 3.02Å |
| 631 | R | 59.5 | Low | 52.1 | Low | 148 Ų | 148 | 127.9 Ų | 127.9 | 56% | 0.558 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -65.2 | -34.7 | 175.2 | -166 | 176.5 | -177.8 | -167.7 | 1.7 | 112.8 | D627 K635 | D627-R631 PolarHBondContact O-N 3.25Å; R631-K635 WeakPolarHBondContact O-CB 3.48Å; R631-K635 PolarHBondContact O-N 3.05Å; R631-K635 VanDerWaalsContact O-N 3.17Å |
| 632 | M | 55.4 | Low | 51.8 | Low | 110 Ų | 110 | 126.6 Ų | 126.6 | 54% | 0.542 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -72.1 | -36.4 | 174.1 | -89.2 | -162.5 | -69.5 | 0 | 0 | 112.8 | P628 R629 E630 R636 | P628-M632 PolarHBondContact O-N 3.35Å; R629-M632 PolarHBondContact O-N 3.29Å; E630-M632 VanDerWaalsContact C-N 3.33Å; E630-M632 PolarHBondContact O-N 2.92Å; M632-R636 WeakPolarHBondContact O-CB 3.47Å; M632-R636 PolarHBondContact O-N 2.91Å |
| 633 | L | 58.9 | Low | 51.4 | Low | 107 Ų | 107 | 131 Ų | 131 | 56% | 0.56 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -69.4 | -42.5 | 176 | -87.9 | 145.6 | 0 | 0 | 0 | 111.7 | R629 E630 R636 I637 | R629-L633 PolarHBondContact O-N 3.19Å; R629-L633 VanDerWaalsContact O-N 3.17Å; E630-L633 PolarHBondContact O-N 3.35Å; L633-R636 PolarHBondContact O-N 3.18Å; L633-I637 WeakPolarHBondContact O-CD1 3.25Å; L633-I637 VanDerWaalsContact O-CG1 3.3Å; L633-I637 WeakPolarHBondContact O-CG1 3.35Å; L633-I637 PolarHBondContact O-N 2.85Å; L633-I637 VanDerWaalsContact O-N 3.1Å |
| 634 | R | 61.3 | Low | 51.2 | Low | 163 Ų | 163 | 130.5 Ų | 130.5 | 62% | 0.615 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -65.6 | -39.7 | 176.3 | -72.3 | 179.9 | -178 | -101.5 | 1.1 | 113 | E630 R636 I637 S638 | E630-R634 WeakPolarHBondContact O-CG 3.47Å; E630-R634 PolarHBondContact O-N 3.02Å; R634-R636 VanDerWaalsContact C-N 3.29Å; R634-R636 PolarHBondContact O-N 2.97Å; R634-I637 PolarHBondContact O-N 3.17Å; R634-S638 WeakPolarHBondContact O-CB 3.42Å; R634-S638 PolarHBondContact O-N 3.09Å; R634-S638 PolarHBondContact O-OG 2.82Å; R634-S638 VanDerWaalsContact O-OG 3.12Å |
| 635 | K | 58.8 | Low | 50.9 | Low | 142 Ų | 142 | 131.1 Ų | 131.1 | 62% | 0.617 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -68 | -24 | 174 | -89.1 | -176.4 | 172.6 | -175.4 | 0 | 114 | R631 | R631-K635 WeakPolarHBondContact O-CB 3.48Å; R631-K635 PolarHBondContact O-N 3.05Å; R631-K635 VanDerWaalsContact O-N 3.17Å |
| 636 | R | 52.5 | Low | 50.8 | Low | 180 Ų | 180 | 135.8 Ų | 135.8 | 68% | 0.679 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -81.3 | -31.3 | 175.7 | -126.9 | -179.6 | -80.5 | -176.5 | -6.9 | 112.2 | M632 L633 R634 | M632-R636 WeakPolarHBondContact O-CB 3.47Å; M632-R636 PolarHBondContact O-N 2.91Å; L633-R636 PolarHBondContact O-N 3.18Å; R634-R636 VanDerWaalsContact C-N 3.29Å; R634-R636 PolarHBondContact O-N 2.97Å |
| 637 | I | 55.9 | Low | 50.5 | Low | 118 Ų | 118 | 137.1 Ų | 137.1 | 61% | 0.605 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -83.9 | -29.5 | 179.1 | -62.4 | 163.9 | 0 | 0 | 0 | 111.5 | L633 R634 | L633-I637 WeakPolarHBondContact O-CD1 3.25Å; L633-I637 VanDerWaalsContact O-CG1 3.3Å; L633-I637 WeakPolarHBondContact O-CG1 3.35Å; L633-I637 PolarHBondContact O-N 2.85Å; L633-I637 VanDerWaalsContact O-N 3.1Å; R634-I637 PolarHBondContact O-N 3.17Å |
| 638 | S | 50 | Low | 49.6 | Very low | 83 Ų | 83 | 137.3 Ų | 137.3 | 58% | 0.58 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | 1.3 | 177.3 | 74.9 | 0 | 0 | 0 | 0 | 114.6 | R634 | R634-S638 WeakPolarHBondContact O-CB 3.42Å; R634-S638 PolarHBondContact O-N 3.09Å; R634-S638 PolarHBondContact O-OG 2.82Å; R634-S638 VanDerWaalsContact O-OG 3.12Å |
| 639 | G | 45.3 | Very low | 48.5 | Very low | 58 Ų | 58 | 136.4 Ų | 136.4 | 60% | 0.598 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | -1.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 640 | T | 46.9 | Very low | 47.6 | Very low | 120 Ų | 120 | 131.2 Ų | 131.2 | 74% | 0.736 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -112.8 | 13.7 | -172.8 | 46.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 641 | E | 39.6 | Very low | 46.6 | Very low | 172 Ų | 172 | 135.2 Ų | 135.2 | 80% | 0.804 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -133.5 | 31.2 | -168.8 | -139.9 | 175.4 | 165.4 | 0 | 0 | 113.1 | ||
| 642 | S | 39 | Very low | 45.5 | Very low | 102 Ų | 102 | 133.7 Ų | 133.7 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | trans | -139.9 | 22.6 | -172.3 | -38.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 643 | Q | 39.4 | Very low | 44.7 | Very low | 194 Ų | 194 | 132.3 Ų | 132.3 | 91% | 0.907 | 74% | 0.74 | S | S | * | * | trans | -132.9 | 65.9 | 172.4 | -72.8 | -169.5 | 2.6 | 0 | 0 | 111 | ||||
| 644 | Q | 37.9 | Very low | 43.5 | Very low | 185 Ų | 185 | 131.4 Ų | 131.4 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | -153.2 | 138.1 | 160.6 | -127.8 | 151.4 | -5.7 | 0 | 0 | 107 | ||||
| 645 | D | 39 | Very low | 42.4 | Very low | 151 Ų | 151 | 127.9 Ų | 127.9 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | trans | 83.5 | 84.2 | -174.8 | -54 | -25.8 | 0 | 0 | 0 | 116.4 | ||||
| 646 | Q | 42.3 | Very low | 41.3 | Very low | 180 Ų | 180 | 126.7 Ų | 126.7 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | -172.6 | 133.4 | 116.5 | -103.5 | 175 | 86 | 0 | 0 | 114.1 | |||||
| 647 | I | 41.3 | Very low | 40.7 | Very low | 147 Ų | 147 | 122.4 Ų | 122.4 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | trans | 100.5 | 94.5 | 151.4 | -56 | 150.1 | 0 | 0 | 0 | 117.5 | ||||
| 648 | S | 39.1 | Very low | 39.9 | Very low | 117 Ų | 117 | 122.8 Ų | 122.8 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -37.7 | 143.7 | 150.5 | 52.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 649 | G | 37 | Very low | 39.4 | Very low | 75 Ų | 75 | 126.5 Ų | 126.5 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | 163.3 | 75.5 | 159.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 650 | A | 38.5 | Very low | 39.2 | Very low | 94 Ų | 94 | 128.6 Ų | 128.6 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | trans | 68.4 | 120.8 | 142.4 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 651 | K | 40.4 | Very low | 38.8 | Very low | 194 Ų | 194 | 130.9 Ų | 130.9 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | trans | 87.9 | 97.2 | 130.1 | -80.3 | -178.5 | 174.8 | 179 | 0 | 121.4 | ||||
| 652 | S | 37.7 | Very low | 39 | Very low | 115 Ų | 115 | 127.5 Ų | 127.5 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | 68.8 | 127.8 | 110.7 | 71 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 653 | G | 37.9 | Very low | 39.1 | Very low | 82 Ų | 82 | 128.9 Ų | 128.9 | 85% | 0.845 | 83% | 0.825 | S | S | * | * | trans | 113.6 | 111 | 158.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 654 | G | 34.7 | Very low | 39.2 | Very low | 88 Ų | 88 | 127.7 Ų | 127.7 | 91% | 0.907 | 82% | 0.819 | S | S | * | * | cis | 111.4 | 107.9 | 28.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 655 | G | 37 | Very low | 39.5 | Very low | 89 Ų | 89 | 124.8 Ų | 124.8 | 92% | 0.918 | 82% | 0.816 | S | S | * | * | trans | 156.1 | 116.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 656 | S | 36.5 | Very low | 39.5 | Very low | 116 Ų | 116 | 123.3 Ų | 123.3 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | trans | -113.7 | 147.1 | -170.6 | -176.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 657 | A | 39.6 | Very low | 39.8 | Very low | 91 Ų | 91 | 121.4 Ų | 121.4 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | trans | 175.9 | 105.6 | 152.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 658 | V | 38 | Very low | 39.6 | Very low | 125 Ų | 125 | 120.1 Ų | 120.1 | 76% | 0.758 | 82% | 0.815 | S | S | * | * | 64.8 | 128.8 | 80.9 | -175.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 659 | L | 41.2 | Very low | 39.9 | Very low | 162 Ų | 162 | 120.3 Ų | 120.3 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | trans | 124.9 | 136.3 | 161.9 | -70.6 | 161.9 | 0 | 0 | 0 | 111.3 | ||||
| 660 | S | 41.1 | Very low | 40.2 | Very low | 101 Ų | 101 | 121 Ų | 121 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | cis | -177.6 | 143.4 | -17.6 | 43.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 661 | N | 36.9 | Very low | 40.2 | Very low | 169 Ų | 169 | 122.4 Ų | 122.4 | 90% | 0.904 | 82% | 0.819 | S | S | * | * | trans | -14.4 | 145.2 | 168.3 | -63.2 | -25.7 | 0 | 0 | 0 | 122.3 | ||||
| 662 | A | 44.5 | Very low | 40.8 | Very low | 100 Ų | 100 | 121.8 Ų | 121.8 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | trans | -160.2 | 150.8 | 134.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 663 | P | 41.9 | Very low | 41 | Very low | 131 Ų | 131 | 126.3 Ų | 126.3 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | trans | -116.8 | 174.4 | -162.9 | 34.5 | -15.6 | 0 | 0 | 0 | 117.1 | ||||
| 664 | E | 40 | Very low | 41.4 | Very low | 169 Ų | 169 | 132.5 Ų | 132.5 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | trans | -19.2 | 166.2 | 177.9 | -78.1 | -172.9 | 159.2 | 0 | 0 | 123.2 | ||||
| 665 | P | 44.6 | Very low | 42.3 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | -140.1 | 153 | 112.7 | 37.1 | -22.6 | 0 | 0 | 0 | 117.3 | |||||
| 666 | T | 39.9 | Very low | 42.8 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 74% | 0.736 | 82% | 0.816 | S | S | * | * | trans | -69.5 | 153.3 | -179.9 | 50 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 667 | V | 48.3 | Very low | 43.1 | Very low | 140 Ų | 140 | 146.2 Ų | 146.2 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | trans | -129 | 135.7 | 164.9 | -167.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 668 | P | 37 | Very low | 43.5 | Very low | 121 Ų | 121 | 151.1 Ų | 151.1 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | trans | -96.9 | 146.8 | -176.4 | 36.4 | -30.4 | 0 | 0 | 0 | 112.1 | ||||
| 669 | S | 44.4 | Very low | 43.6 | Very low | 121 Ų | 121 | 158.5 Ų | 158.5 | 85% | 0.846 | 85% | 0.845 | S | S | * | * | trans | -157.4 | 115.6 | 154 | -165.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 670 | A | 44.3 | Very low | 43.7 | Very low | 90 Ų | 90 | 158.3 Ų | 158.3 | 74% | 0.744 | 85% | 0.845 | S | S | * | * | trans | -6.9 | 125.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 671 | S | 39.1 | Very low | 43.9 | Very low | 123 Ų | 123 | 161.3 Ų | 161.3 | 86% | 0.86 | 85% | 0.852 | S | S | * | * | trans | -84.8 | 120.9 | 159 | -31.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 672 | K | 51.9 | Low | 44.2 | Very low | 181 Ų | 181 | 160.9 Ų | 160.9 | 79% | 0.787 | 85% | 0.849 | S | S | * | * | trans | -98.9 | 114 | 164 | -77 | -178.3 | 178.9 | 178.3 | 0 | 109.1 | ||||
| 673 | K | 42.4 | Very low | 44.2 | Very low | 210 Ų | 210 | 164.5 Ų | 164.5 | 91% | 0.913 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 122.6 | 164.9 | -78.4 | 176.7 | 174.7 | 176.1 | 0 | 108.3 | ||
| 674 | Y | 46.8 | Very low | 44.4 | Very low | 211 Ų | 211 | 166.6 Ų | 166.6 | 83% | 0.827 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 133.3 | 159.8 | -86.6 | -82.2 | 0 | 0 | 0 | 109.9 | ||
| 675 | K | 53.6 | Low | 44.7 | Very low | 195 Ų | 195 | 166.4 Ų | 166.4 | 85% | 0.848 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 125.2 | -176.5 | -161.5 | 175.8 | -175 | -178.3 | 0 | 106.8 | F677 | K675-F677 PolarHBondContact O-N 2.74Š|
| 676 | E | 46.7 | Very low | 44.7 | Very low | 191 Ų | 191 | 169.4 Ų | 169.4 | 89% | 0.893 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 122.2 | 177 | -160.5 | 169 | -164.8 | 0 | 0 | 111 | ||
| 677 | F | 43.7 | Very low | 45 | Very low | 196 Ų | 196 | 173.2 Ų | 173.2 | 86% | 0.86 | 87% | 0.868 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 122.3 | 166.3 | -110.4 | -88.1 | 0 | 0 | 0 | 108.3 | K675 | K675-F677 PolarHBondContact O-N 2.74Š|
| 678 | K | 47.7 | Very low | 44.8 | Very low | 194 Ų | 194 | 176 Ų | 176 | 84% | 0.843 | 87% | 0.869 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 134.1 | 165.5 | -92.2 | 178 | 169.3 | 176.5 | 0 | 109.2 | ||
| 679 | F | 39.8 | Very low | 45.5 | Very low | 279 Ų | 279 | 181 Ų | 181 | 100% | 1.224 | 88% | 0.877 | S | S | * | * | trans | -118.7 | 0 | 144.8 | -110.1 | -82.6 | 0 | 0 | 0 | 108.3 |
Retrieved 679 of 679 residues in 210.5 ms
(Link to these results)